4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine

C16H17F4N3 — CID 158998818

IUPAC4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine
SMILESCn1ccnc1C1(F)CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H17F4N3/c1-22-11-8-21-14(22)15(17)6-9-23(10-7-15)13-4-2-12(3-5-13)16(18,19)20/h2-5,8,11H,6-7,9-10H2,1H3
InChIKeyJRBWJEZOBLESLS-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.90
Rot. Bonds2

About 4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine

4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 158998818) has the molecular formula C16H17F4N3 and a molecular weight of 327.33 g/mol. Its IUPAC name is 4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID158998818
Molecular FormulaC16H17F4N3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Name4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine
SMILESCn1ccnc1C1(F)CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H17F4N3/c1-22-11-8-21-14(22)15(17)6-9-23(10-7-15)13-4-2-12(3-5-13)16(18,19)20/h2-5,8,11H,6-7,9-10H2,1H3
InChIKeyJRBWJEZOBLESLS-UHFFFAOYSA-N
XLogP3.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Trim
CID 1359
1H-Imidazole, 2-methyl-1-(phenylmethyl)-
CID 83699
1-(4-Aminobenzyl)-1H-imidazole
CID 1265319
2,4-Disubstituted Pyrimidine 2c
CID 5329416
3-(4-fluorophenyl)-Imidazo[1,5-a]pyridine
CID 722307
Benzonitrile, p-imidazol-1-yl-
CID 135744
1-(4-Trifluoromethylphenyl)imidazole
CID 141198
1-(m-Tolyl)imidazole
CID 520197
2-Methyl-3-[2-[4-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]quinoxaline
CID 165414867
1-Benzyl-3-hexadecyl-2-methylimidazol-1-ium
CID 10436840
4-[(2-Methyl-1H-imidazol-1-yl)methyl]pyridine
CID 52949342
4-((1H-Imidazol-4-yl)methyl)-1-(3-(trifluoromethyl)-phenyl)piperidine
CID 49799506

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine (CID 158998818) is 4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine is Cn1ccnc1C1(F)CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is JRBWJEZOBLESLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3/c1-22-11-8-21-14(22)15(17)6-9-23(10-7-15)13-4-2-12(3-5-13)16(18,19)20/h2-5,8,11H,6-7,9-10H2,1H3.
What are the key properties of 4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine?
4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 327.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 158998818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).