(2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid

C14H19NO3 — CID 135037465

IUPAC(2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid
SMILESC[C@@H](c1ccccc1)N1CC[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C14H19NO3/c1-10(11-5-3-2-4-6-11)15-8-7-12(16)9-13(15)14(17)18/h2-6,10,12-13,16H,7-9H2,1H3,(H,17,18)/t10-,12-,13+/m0/s1
InChIKeyQZZBPOJNOZCNEP-WCFLWFBJSA-N
MW249.31 g/mol
LogP1.66
Rot. Bonds3

About (2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid

(2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid (PubChem CID 135037465) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid
PubChem CID135037465
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid
SMILESC[C@@H](c1ccccc1)N1CC[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C14H19NO3/c1-10(11-5-3-2-4-6-11)15-8-7-12(16)9-13(15)14(17)18/h2-6,10,12-13,16H,7-9H2,1H3,(H,17,18)/t10-,12-,13+/m0/s1
InChIKeyQZZBPOJNOZCNEP-WCFLWFBJSA-N
XLogP1.66
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
Ethyl 1-benzylpiperidine-2-carboxylate
CID 2838690
Ethyl 1-(4-fluorobenzyl)-2-piperidinecarboxylate
CID 2837997
Ethyl 1-(3-fluorobenzyl)-2-piperidinecarboxylate
CID 2838709
2-(2-Methylpiperidin-1-yl)-2-phenylacetic acid hydrochloride
CID 16189438
Ethyl alpha-phenyl-1-piperidineacetate
CID 202135
1-[(3-Fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3939326
2-(4-Methylpiperazin-1-yl)-2-phenylacetic acid
CID 22957262
2-Phenyl-2-(piperidin-1-yl)acetic acid
CID 408627
1-Benzylpiperidine-2-carboxylic acid
CID 2841641
2-(4-Methylpiperidin-1-yl)-2-phenylacetic acid
CID 3157175

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid (CID 135037465) is (2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid is C[C@@H](c1ccccc1)N1CC[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid?
The InChIKey is QZZBPOJNOZCNEP-WCFLWFBJSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(11-5-3-2-4-6-11)15-8-7-12(16)9-13(15)14(17)18/h2-6,10,12-13,16H,7-9H2,1H3,(H,17,18)/t10-,12-,13+/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid?
(2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 135037465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).