1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide

C14H19FN2O2 — CID 54989327

IUPAC1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccc(F)cc1CO
InChIInChI=1S/C14H19FN2O2/c1-9-2-3-10(14(16)19)7-17(9)13-5-4-12(15)6-11(13)8-18/h4-6,9-10,18H,2-3,7-8H2,1H3,(H2,16,19)
InChIKeyOIMFCKDJYTUPSD-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.41
Rot. Bonds3

About 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide

1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide (PubChem CID 54989327) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide
PubChem CID54989327
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccc(F)cc1CO
InChIInChI=1S/C14H19FN2O2/c1-9-2-3-10(14(16)19)7-17(9)13-5-4-12(15)6-11(13)8-18/h4-6,9-10,18H,2-3,7-8H2,1H3,(H2,16,19)
InChIKeyOIMFCKDJYTUPSD-UHFFFAOYSA-N
XLogP1.41
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide (CID 54989327) is 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1ccc(F)cc1CO.
What is the InChIKey of 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is OIMFCKDJYTUPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-2-3-10(14(16)19)7-17(9)13-5-4-12(15)6-11(13)8-18/h4-6,9-10,18H,2-3,7-8H2,1H3,(H2,16,19).
What are the key properties of 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide?
1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 54989327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).