1-(3-Aminopropyl)piperidin-4-ol - CAS 4608-78-0

Catalog:	BB026071
Product Name:	1-(3-Aminopropyl)piperidin-4-ol
CAS:	4608-78-0
Synonyms:	1-(3-aminopropyl)piperidin-4-ol

Technical Data

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Computed Properties

IUPAC Name:	1-(3-aminopropyl)piperidin-4-ol
Description:	1-(3-Aminopropyl)piperidin-4-ol (CAS# 4608-78-0) is a useful research chemical.
Molecular Weight:	158.24
Molecular Formula:	C8H18N2O
Canonical SMILES:	C1CN(CCC1O)CCCN
InChI:	InChI=1S/C8H18N2O/c9-4-1-5-10-6-2-8(11)3-7-10/h8,11H,1-7,9H2
InChI Key:	BNUCAKHAFXRILR-UHFFFAOYSA-N
Boiling Point:	288 °C at 760 mmHg
Purity:	95 %
Density:	1.039 g/cm³
MDL:	MFCD06408765
LogP:	0.43010

Publication Number	Title	Priority Date
WO-2021035101-A1	Molecules that bind to tdp-43 for the treatment of amyotrophic lateral sclerosis and related disorders	20190822
WO-2020236688-A1	Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes	20190522
AU-2016267592-A1	Inhibitors of bacterial glycosyl transferases	20150528
CA-2985494-A1	Inhibitors of bacterial glycosyl transferases	20150528
EP-3303338-A1	Inhibitors of bacterial glycosyl transferases	20150528

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Related Functional Groups

Piperidines

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[821768-09-6]
1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
[869951-27-9]
Ethyl 1-(ethylsulfonyl)piperidine-3-carboxylate
[832118-87-3]
Ethyl 1-(ethylsulfonyl)piperidine-4-carboxylate
[217487-18-8]
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.141913202
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	158.141913202
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4