1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid

C14H18FNO2 — CID 63136242

IUPAC1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C14H18FNO2/c1-14(13(17)18)6-3-7-16(10-14)9-11-4-2-5-12(15)8-11/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyKLKBKCQAQSIRPG-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.51
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid

1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136242) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63136242
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C14H18FNO2/c1-14(13(17)18)6-3-7-16(10-14)9-11-4-2-5-12(15)8-11/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyKLKBKCQAQSIRPG-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid (CID 63136242) is 1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is KLKBKCQAQSIRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(13(17)18)6-3-7-16(10-14)9-11-4-2-5-12(15)8-11/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-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 1-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).