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

C15H16F3N3O2 — CID 154823350

IUPAC(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1n1ccnc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)23-11-3-1-2-10(8-11)14-20-6-7-21(14)12-4-5-19-9-13(12)22/h1-3,6-8,12-13,19,22H,4-5,9H2/t12-,13-/m0/s1
InChIKeyZHENUEBEAIDYQQ-STQMWFEESA-N
MW327.31 g/mol
LogP2.34
Rot. Bonds3

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

(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol (PubChem CID 154823350) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is (3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
PubChem CID154823350
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
SMILESO[C@H]1CNCC[C@@H]1n1ccnc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)23-11-3-1-2-10(8-11)14-20-6-7-21(14)12-4-5-19-9-13(12)22/h1-3,6-8,12-13,19,22H,4-5,9H2/t12-,13-/m0/s1
InChIKeyZHENUEBEAIDYQQ-STQMWFEESA-N
XLogP2.34
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 168909169
(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
CID 146044197
formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 163333876
4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 133264534
4-(2-naphthalen-2-ylimidazol-1-yl)piperidine
CID 68729306
2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
CID 173241716
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 71514253
acetic acid;2-[2-[1-[(3S,4S)-3-hydroxypiperidin-4-yl]imidazol-2-yl]phenoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 155940414
(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 99928309
(3S,3aR,6R,6aR)-3-[2-[3-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165421507

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol (CID 154823350) is (3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol is O[C@H]1CNCC[C@@H]1n1ccnc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol?
The InChIKey is ZHENUEBEAIDYQQ-STQMWFEESA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)23-11-3-1-2-10(8-11)14-20-6-7-21(14)12-4-5-19-9-13(12)22/h1-3,6-8,12-13,19,22H,4-5,9H2/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol?
(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol has a molecular weight of 327.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol is sourced from PubChem (CID 154823350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).