4-Piperidinemethanol - CAS 6457-49-4

Catalog:	BB032508
Product Name:	4-Piperidinemethanol
CAS:	6457-49-4
Synonyms:	piperidin-4-ylmethanol

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Computed Properties

IUPAC Name:	piperidin-4-ylmethanol
Description:	4-Piperidinemethanol (CAS# 6457-49-4) is a building block that can be used for the synthesis of selective inhibitors of sphingosine kinase 1 (SK1), that may serve as therapeutic agents for proliferative diseases, including hypertension.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	C1CNCCC1CO
InChI:	InChI=1S/C6H13NO/c8-5-6-1-3-7-4-2-6/h6-8H,1-5H2
InChI Key:	XBXHCBLBYQEYTI-UHFFFAOYSA-N
Boiling Point:	118-120 °C (10 mmHg)
Purity:	97.0 %
Density:	0.997 g/cm³
MDL:	MFCD00174228
LogP:	0.30710

Publication Number	Title	Priority Date
CN-113307779-A	Heterocyclic substituted biphenyl compound, preparation method and application	20210525
CN-113061117-A	2- ((5-chloro-2- (4-morpholine methylanilino) pyrimidine-4-yl) amino) benzamide derivative	20210330
CN-112675719-A	High-temperature-resistant modified filter membrane and preparation process thereof	20201202
CN-112194673-A	Combined anti-tumor compound and preparation method and application thereof	20201009
CN-111732558-A	Method for synthesizing 1-azabicyclo [2,2,1] heptane and derivatives thereof	20200731

PMID	Publication Date	Title	Journal
22620675	20120703	Toward rational design of amine solutions for PCC applications: the kinetics of the reaction of CO2(aq) with cyclic and secondary amines in aqueous solution	Environmental science & technology
11334850	20010413	M100907, a selective 5-HT(2A) receptor antagonist, attenuates phencyclidine-induced Fos expression in discrete regions of rat brain	European journal of pharmacology

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Related Functional Groups

Piperidines

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3-Bromo-1-methylpiperidine Hydrobromide
[1220027-22-4]
4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
[821768-09-6]
1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
[313685-03-9]
Ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	59.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.099714038
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	115.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1