(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride

C13H19ClN2O3 — CID 67928795

IUPAC(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1CC[C@H](NCc2ccccc2)[C@H](O)C1
InChIInChI=1S/C13H18N2O3.ClH/c16-12-9-15(13(17)18)7-6-11(12)14-8-10-4-2-1-3-5-10;/h1-5,11-12,14,16H,6-9H2,(H,17,18);1H/t11-,12+;/m0./s1
InChIKeyQOYJKTMJOQSGJT-ZVWHLABXSA-N
MW286.76 g/mol
LogP1.31
Rot. Bonds3

About (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride

(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride (PubChem CID 67928795) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride
PubChem CID67928795
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1CC[C@H](NCc2ccccc2)[C@H](O)C1
InChIInChI=1S/C13H18N2O3.ClH/c16-12-9-15(13(17)18)7-6-11(12)14-8-10-4-2-1-3-5-10;/h1-5,11-12,14,16H,6-9H2,(H,17,18);1H/t11-,12+;/m0./s1
InChIKeyQOYJKTMJOQSGJT-ZVWHLABXSA-N
XLogP1.31
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-4-(benzylamino)piperidine-1,3-dicarboxylic acid
CID 90844660
(3R,4S)-4-(benzylamino)-3-(3-fluoropropoxy)piperidine-1-carboxylic acid
CID 141335283
1-[(4R,5S)-4-(benzylamino)-5-methylazepan-1-yl]ethanone
CID 131729150
methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate
CID 58075022
3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid
CID 69113749
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
tert-butyl (3R,4S)-4-(benzylamino)-3-propan-2-yloxypiperidine-1-carboxylate
CID 86648684
4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid
CID 69055536
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
(3S,4R)-4-(benzylamino)-2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
CID 68515222

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride?
The IUPAC name of (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride (CID 67928795) is (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride?
The canonical SMILES for (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride is Cl.O=C(O)N1CC[C@H](NCc2ccccc2)[C@H](O)C1.
What is the InChIKey of (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride?
The InChIKey is QOYJKTMJOQSGJT-ZVWHLABXSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c16-12-9-15(13(17)18)7-6-11(12)14-8-10-4-2-1-3-5-10;/h1-5,11-12,14,16H,6-9H2,(H,17,18);1H/t11-,12+;/m0./s1.
What are the key properties of (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride?
(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 67928795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).