1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide

C14H19FN2O2 — CID 78939276

IUPAC1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
SMILESC[C@H](O)c1c(F)cccc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19FN2O2/c1-9(18)13-11(15)3-2-4-12(13)17-7-5-10(6-8-17)14(16)19/h2-4,9-10,18H,5-8H2,1H3,(H2,16,19)/t9-/m0/s1
InChIKeyWKZUHGZTSWACMZ-VIFPVBQESA-N
MW266.32 g/mol
LogP1.58
Rot. Bonds3

About 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide

1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide (PubChem CID 78939276) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
PubChem CID78939276
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
SMILESC[C@H](O)c1c(F)cccc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19FN2O2/c1-9(18)13-11(15)3-2-4-12(13)17-7-5-10(6-8-17)14(16)19/h2-4,9-10,18H,5-8H2,1H3,(H2,16,19)/t9-/m0/s1
InChIKeyWKZUHGZTSWACMZ-VIFPVBQESA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-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-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide (CID 78939276) is 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide is C[C@H](O)c1c(F)cccc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide?
The InChIKey is WKZUHGZTSWACMZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(18)13-11(15)3-2-4-12(13)17-7-5-10(6-8-17)14(16)19/h2-4,9-10,18H,5-8H2,1H3,(H2,16,19)/t9-/m0/s1.
What are the key properties of 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide?
1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 78939276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).