1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid

C14H15FN2O2 — CID 64770279

IUPAC1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESN#Cc1ccc(F)cc1CN1CCCCC1C(=O)O
InChIInChI=1S/C14H15FN2O2/c15-12-5-4-10(8-16)11(7-12)9-17-6-2-1-3-13(17)14(18)19/h4-5,7,13H,1-3,6,9H2,(H,18,19)
InChIKeySSTRVGFVYGUFER-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.14
Rot. Bonds3

About 1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid

1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 64770279) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID64770279
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESN#Cc1ccc(F)cc1CN1CCCCC1C(=O)O
InChIInChI=1S/C14H15FN2O2/c15-12-5-4-10(8-16)11(7-12)9-17-6-2-1-3-13(17)14(18)19/h4-5,7,13H,1-3,6,9H2,(H,18,19)
InChIKeySSTRVGFVYGUFER-UHFFFAOYSA-N
XLogP2.14
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103760645
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
1-[(5-fluoro-2-nitrophenyl)methyl]piperidine-2-carboxylic acid
CID 43443753
1-[(5-fluoro-2-nitrophenyl)methyl]azepane-2-carboxylic acid
CID 64563737
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[(2-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745130
4-fluoro-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 64764855
(2S)-1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 129395291
1-[(2-cyano-5-fluorophenyl)methyl]azetidine-3-carboxylic acid
CID 64763542
1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908716
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid (CID 64770279) is 1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid is N#Cc1ccc(F)cc1CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is SSTRVGFVYGUFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-12-5-4-10(8-16)11(7-12)9-17-6-2-1-3-13(17)14(18)19/h4-5,7,13H,1-3,6,9H2,(H,18,19).
What are the key properties of 1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid?
1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 262.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 64770279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).