(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol

C14H15F2N3O — CID 154821312

IUPAC(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1n1ccnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O/c15-10-2-1-9(7-11(10)16)14-18-5-6-19(14)12-3-4-17-8-13(12)20/h1-2,5-7,12-13,17,20H,3-4,8H2/t12-,13-/m0/s1
InChIKeyMOMHDSCGYJISPF-STQMWFEESA-N
MW279.29 g/mol
LogP1.72
Rot. Bonds2

About (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol

(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol (PubChem CID 154821312) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol
PubChem CID154821312
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1n1ccnc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O/c15-10-2-1-9(7-11(10)16)14-18-5-6-19(14)12-3-4-17-8-13(12)20/h1-2,5-7,12-13,17,20H,3-4,8H2/t12-,13-/m0/s1
InChIKeyMOMHDSCGYJISPF-STQMWFEESA-N
XLogP1.72
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154564535
(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154823350
(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol
CID 154818382
(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154817273
(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
CID 146044197
(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride
CID 163334678
(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride
CID 163334075
3-[1-[(3S,4S)-3-hydroxypiperidin-4-yl]imidazol-2-yl]-7-methyl-1H-quinolin-2-one;dihydrochloride
CID 154923451
(3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol
CID 155501353
4-[2-(4-bromophenyl)imidazol-1-yl]piperidine
CID 82559669
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
4-(2-naphthalen-2-ylimidazol-1-yl)piperidine
CID 68729306

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol (CID 154821312) is (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol is O[C@H]1CNCC[C@@H]1n1ccnc1-c1ccc(F)c(F)c1.
What is the InChIKey of (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol?
The InChIKey is MOMHDSCGYJISPF-STQMWFEESA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-10-2-1-9(7-11(10)16)14-18-5-6-19(14)12-3-4-17-8-13(12)20/h1-2,5-7,12-13,17,20H,3-4,8H2/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol?
(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol has a molecular weight of 279.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol is sourced from PubChem (CID 154821312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).