(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine

C17H20F3N3 — CID 154566736

IUPAC(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine
SMILESCC[C@H]1C[C@H](n2ccnc2-c2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C17H20F3N3/c1-2-14-11-15(6-7-21-14)23-9-8-22-16(23)12-4-3-5-13(10-12)17(18,19)20/h3-5,8-10,14-15,21H,2,6-7,11H2,1H3/t14-,15+/m0/s1
InChIKeyLUMAAUPZUSHLCL-LSDHHAIUSA-N
MW323.36 g/mol
LogP4.27
Rot. Bonds3

About (2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine

(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine (PubChem CID 154566736) has the molecular formula C17H20F3N3 and a molecular weight of 323.36 g/mol. Its IUPAC name is (2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine.

Molecular Properties

Compound Name(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine
PubChem CID154566736
Molecular FormulaC17H20F3N3
Molecular Weight323.36 g/mol
Exact Mass323.16
IUPAC Name(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine
SMILESCC[C@H]1C[C@H](n2ccnc2-c2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C17H20F3N3/c1-2-14-11-15(6-7-21-14)23-9-8-22-16(23)12-4-3-5-13(10-12)17(18,19)20/h3-5,8-10,14-15,21H,2,6-7,11H2,1H3/t14-,15+/m0/s1
InChIKeyLUMAAUPZUSHLCL-LSDHHAIUSA-N
XLogP4.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
CID 155914793
(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride
CID 154923336
acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
CID 155972389
(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
CID 146046104
(2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine
CID 154817045
(2R,4R)-2-ethyl-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 154567649
acetic acid;N-ethyl-N-[[5-[1-[(2S,4R)-2-ethylpiperidin-4-yl]imidazol-2-yl]-2-methoxyphenyl]methyl]ethanamine
CID 163333561
acetic acid;3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-1-oxa-8-azaspiro[4.5]decane
CID 154920020
4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole
CID 79787135
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
(3-ethylpiperazin-1-yl)-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methanone
CID 119058466

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine?
The IUPAC name of (2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine (CID 154566736) is (2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine.
What is the SMILES notation for (2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine?
The canonical SMILES for (2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine is CC[C@H]1C[C@H](n2ccnc2-c2cccc(C(F)(F)F)c2)CCN1.
What is the InChIKey of (2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine?
The InChIKey is LUMAAUPZUSHLCL-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H20F3N3/c1-2-14-11-15(6-7-21-14)23-9-8-22-16(23)12-4-3-5-13(10-12)17(18,19)20/h3-5,8-10,14-15,21H,2,6-7,11H2,1H3/t14-,15+/m0/s1.
What are the key properties of (2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine?
(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine has a molecular weight of 323.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine is sourced from PubChem (CID 154566736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).