(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid

C14H18FNO2 — CID 129381448

IUPAC(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESC[C@H]1CCN(Cc2ccccc2F)[C@H](C(=O)O)C1
InChIInChI=1S/C14H18FNO2/c1-10-6-7-16(13(8-10)14(17)18)9-11-4-2-3-5-12(11)15/h2-5,10,13H,6-9H2,1H3,(H,17,18)/t10-,13-/m0/s1
InChIKeyOEQPANWKLFZADY-GWCFXTLKSA-N
MW251.30 g/mol
LogP2.51
Rot. Bonds3

About (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid

(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 129381448) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID129381448
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESC[C@H]1CCN(Cc2ccccc2F)[C@H](C(=O)O)C1
InChIInChI=1S/C14H18FNO2/c1-10-6-7-16(13(8-10)14(17)18)9-11-4-2-3-5-12(11)15/h2-5,10,13H,6-9H2,1H3,(H,17,18)/t10-,13-/m0/s1
InChIKeyOEQPANWKLFZADY-GWCFXTLKSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-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

1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426468
1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426310
1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426538
1-[(3,5-dimethylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426307
4-methyl-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid
CID 114426332
1-benzyl-4-methylpiperidine-2-carboxylic acid;4-methylbenzenesulfonic acid
CID 86735354
1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426422
1-[(2-cyanophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430650
1-[(4-chloro-2-fluorophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114851059
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid (CID 129381448) is (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid is C[C@H]1CCN(Cc2ccccc2F)[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is OEQPANWKLFZADY-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-6-7-16(13(8-10)14(17)18)9-11-4-2-3-5-12(11)15/h2-5,10,13H,6-9H2,1H3,(H,17,18)/t10-,13-/m0/s1.
What are the key properties of (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 129381448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).