1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride

C14H19ClFNO2 — CID 45075015

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCc1cc(CN2CCCC(C(=O)O)C2)ccc1F.Cl
InChIInChI=1S/C14H18FNO2.ClH/c1-10-7-11(4-5-13(10)15)8-16-6-2-3-12(9-16)14(17)18;/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,18);1H
InChIKeyIRFURWFDDBHHPK-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.85
Rot. Bonds3

About 1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride

1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride (PubChem CID 45075015) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
PubChem CID45075015
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
SMILESCc1cc(CN2CCCC(C(=O)O)C2)ccc1F.Cl
InChIInChI=1S/C14H18FNO2.ClH/c1-10-7-11(4-5-13(10)15)8-16-6-2-3-12(9-16)14(17)18;/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,18);1H
InChIKeyIRFURWFDDBHHPK-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
ethyl (3R)-1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763085
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
(3S)-1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 124596596
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride (CID 45075015) is 1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride is Cc1cc(CN2CCCC(C(=O)O)C2)ccc1F.Cl.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is IRFURWFDDBHHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2.ClH/c1-10-7-11(4-5-13(10)15)8-16-6-2-3-12(9-16)14(17)18;/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,18);1H.
What are the key properties of 1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride?
1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 287.76 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45075015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).