(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid

C12H16N2O2 — CID 134278909

IUPAC(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
SMILESN[C@H]1CCN(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H16N2O2/c13-11-6-7-14(12(15)16)8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,15,16)/t10-,11+/m1/s1
InChIKeyADXHNBVKRJTSCK-MNOVXSKESA-N
MW220.27 g/mol
LogP1.48
Rot. Bonds1

About (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid

(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid (PubChem CID 134278909) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
PubChem CID134278909
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
SMILESN[C@H]1CCN(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H16N2O2/c13-11-6-7-14(12(15)16)8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,15,16)/t10-,11+/m1/s1
InChIKeyADXHNBVKRJTSCK-MNOVXSKESA-N
XLogP1.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid 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

3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907
(3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid
CID 87627459
4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid;4-methylbenzenesulfonic acid
CID 87627456
butyl 4-amino-3-phenylpiperidine-1-carboxylate
CID 155601155
N-[2-[(3R,4S)-4-amino-3-phenylpiperidin-1-yl]-2-oxoethyl]acetamide;methane;sulfane
CID 158027672
(3R,4R)-1-methyl-3-phenylpiperidin-4-amine
CID 96750295
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 120746591
(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid
CID 67546893
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone
CID 120750246
[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72875520
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 120748068
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120749109

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid?
The IUPAC name of (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid (CID 134278909) is (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid is N[C@H]1CCN(C(=O)O)C[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid?
The InChIKey is ADXHNBVKRJTSCK-MNOVXSKESA-N. The full InChI is InChI=1S/C12H16N2O2/c13-11-6-7-14(12(15)16)8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid?
(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 134278909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).