3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

C18H22F3N3 — CID 70722751

IUPAC3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCCn1ccnc1C1CCCN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H22F3N3/c1-2-24-11-9-22-17(24)15-4-3-10-23(13-15)12-14-5-7-16(8-6-14)18(19,20)21/h5-9,11,15H,2-4,10,12-13H2,1H3
InChIKeyBYATUTZXMXUBNJ-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.30
Rot. Bonds4

About 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 70722751) has the molecular formula C18H22F3N3 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID70722751
Molecular FormulaC18H22F3N3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC Name3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCCn1ccnc1C1CCCN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H22F3N3/c1-2-24-11-9-22-17(24)15-4-3-10-23(13-15)12-14-5-7-16(8-6-14)18(19,20)21/h5-9,11,15H,2-4,10,12-13H2,1H3
InChIKeyBYATUTZXMXUBNJ-UHFFFAOYSA-N
XLogP4.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine 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

4-[[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 97122082
4-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pyridine
CID 97153303
3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080813
1-[(4-methylsulfanylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]piperidine
CID 167080859
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 72873646
3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233
1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine
CID 70716309
(3S)-3-(1-butylimidazol-2-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperidine
CID 97188481
(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97120414
(3R)-3-(1-ethylimidazol-2-yl)-1-[2-(2-ethylphenoxy)ethyl]piperidine
CID 97134256
2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998751

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 70722751) is 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is CCn1ccnc1C1CCCN(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is BYATUTZXMXUBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3/c1-2-24-11-9-22-17(24)15-4-3-10-23(13-15)12-14-5-7-16(8-6-14)18(19,20)21/h5-9,11,15H,2-4,10,12-13H2,1H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 337.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 70722751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).