(S)-Piperidine-3-methanol - CAS 144539-77-5

Catalog:	BB009788
Product Name:	(S)-Piperidine-3-methanol
CAS:	144539-77-5
Synonyms:	[(3S)-3-piperidinyl]methanol; [(3S)-piperidin-3-yl]methanol

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Computed Properties

IUPAC Name:	[(3S)-piperidin-3-yl]methanol
Description:	(S)-Piperidine-3-methanol (CAS# 144539-77-5) is used to study enzymic chemoselective and enantioselective acyl transfers in hydroxymethylpiperidines.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	C1CC(CNC1)CO
InChI:	InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/t6-/m0/s1
InChI Key:	VUNPWIPIOOMCPT-LURJTMIESA-N
Boiling Point:	240.4 °C at 760 mmHg
Density:	0.951 g/cm³
Appearance:	White crystals
MDL:	MFCD10567175
LogP:	0.30710

Publication Number	Title	Priority Date
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
WO-2020186196-A1	Trisubstituted pyrazolo [1,5-a] pyrimidine compounds as cdk7 inhibitors	20190313
WO-2020083856-A1	5-azaindazole derivatives as adenosine receptor antagonists	20181025
TW-202043223-A	5-azaindazole derivatives as adenosine receptor antagonists	20181025
CN-112912142-A	5-azaindazole derivatives as adenosine receptor antagonists	20181025

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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:	65.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
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