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

C14H15ClFN3O — CID 154564535

IUPAC(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1n1ccnc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O/c15-10-7-9(1-2-11(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
InChIKeyRPVVWNBTGDJTAH-STQMWFEESA-N
MW295.75 g/mol
LogP2.24
Rot. Bonds2

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

(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol (PubChem CID 154564535) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is (3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol
PubChem CID154564535
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1n1ccnc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O/c15-10-7-9(1-2-11(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
InChIKeyRPVVWNBTGDJTAH-STQMWFEESA-N
XLogP2.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-[2-(3-chloro-4-fluorophenyl)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-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154821312
(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,3aR,6R,6aR)-3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165419975
3-[1-[(3S,4S)-3-hydroxypiperidin-4-yl]imidazol-2-yl]-7-methyl-1H-quinolin-2-one;dihydrochloride
CID 154923451
(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride
CID 163334075
(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
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol (CID 154564535) is (3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol is O[C@H]1CNCC[C@@H]1n1ccnc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of (3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol?
The InChIKey is RPVVWNBTGDJTAH-STQMWFEESA-N. The full InChI is InChI=1S/C14H15ClFN3O/c15-10-7-9(1-2-11(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-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol?
(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol has a molecular weight of 295.75 g/mol, XLogP of 2.24, 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-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol is sourced from PubChem (CID 154564535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).