3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid

C15H22N2O3 — CID 170313821

IUPAC3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid
SMILESC[C@@H](NC1CCN(C(=O)O)CC1CO)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(12-5-3-2-4-6-12)16-14-7-8-17(15(19)20)9-13(14)10-18/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,19,20)/t11-,13?,14?/m1/s1
InChIKeyLSJYNFFDEFOQEV-LMWSTFAQSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds4

About 3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid

3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid (PubChem CID 170313821) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid
PubChem CID170313821
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid
SMILESC[C@@H](NC1CCN(C(=O)O)CC1CO)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(12-5-3-2-4-6-12)16-14-7-8-17(15(19)20)9-13(14)10-18/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,19,20)/t11-,13?,14?/m1/s1
InChIKeyLSJYNFFDEFOQEV-LMWSTFAQSA-N
XLogP1.70
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-3-ethoxycarbonyl-4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 170313768
4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393
tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 169265665
(3S,4R)-4-[(2-hydroxy-1-phenylethyl)amino]-3-methoxypiperidine-1-carboxylic acid
CID 22877802
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 67914576
[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol
CID 174553804
bis[(3S,4R)-3-methoxy-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carbonyl] butanedioate
CID 135283675
1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 97097185
cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone
CID 71927637
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid (CID 170313821) is 3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid is C[C@@H](NC1CCN(C(=O)O)CC1CO)c1ccccc1.
What is the InChIKey of 3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid?
The InChIKey is LSJYNFFDEFOQEV-LMWSTFAQSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(12-5-3-2-4-6-12)16-14-7-8-17(15(19)20)9-13(14)10-18/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,19,20)/t11-,13?,14?/m1/s1.
What are the key properties of 3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid?
3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 170313821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).