1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid

C14H17ClFNO2 — CID 114866930

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C14H17ClFNO2/c1-14(13(18)19)4-6-17(7-5-14)9-10-8-11(15)2-3-12(10)16/h2-3,8H,4-7,9H2,1H3,(H,18,19)
InChIKeyUTUSEHWQWGLKIO-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.17
Rot. Bonds3

About 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid

1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 114866930) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID114866930
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C14H17ClFNO2/c1-14(13(18)19)4-6-17(7-5-14)9-10-8-11(15)2-3-12(10)16/h2-3,8H,4-7,9H2,1H3,(H,18,19)
InChIKeyUTUSEHWQWGLKIO-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-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-[(5-chloro-2-fluorophenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 114866947
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 106865235
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124421
(4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97188485
1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65065050
2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethanone
CID 103048097
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
3-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-yl]propanoic acid
CID 114866899
1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124442
3-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-4-fluorobenzoic acid
CID 107456407

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid (CID 114866930) is 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(Cc2cc(Cl)ccc2F)CC1.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is UTUSEHWQWGLKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-14(13(18)19)4-6-17(7-5-14)9-10-8-11(15)2-3-12(10)16/h2-3,8H,4-7,9H2,1H3,(H,18,19).
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 285.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114866930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).