1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine

C19H23F4N3 — CID 72873646

IUPAC1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1ccnc1C1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C19H23F4N3/c1-13(2)26-9-7-24-18(26)15-4-3-8-25(12-15)11-14-5-6-17(20)16(10-14)19(21,22)23/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3
InChIKeyDGIYDWWAQLOKMN-UHFFFAOYSA-N
MW369.41 g/mol
LogP5.00
Rot. Bonds4

About 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine

1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine (PubChem CID 72873646) has the molecular formula C19H23F4N3 and a molecular weight of 369.41 g/mol. Its IUPAC name is 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
PubChem CID72873646
Molecular FormulaC19H23F4N3
Molecular Weight369.41 g/mol
Exact Mass369.18
IUPAC Name1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1ccnc1C1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C19H23F4N3/c1-13(2)26-9-7-24-18(26)15-4-3-8-25(12-15)11-14-5-6-17(20)16(10-14)19(21,22)23/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3
InChIKeyDGIYDWWAQLOKMN-UHFFFAOYSA-N
XLogP5.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 97198380
1-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975652
(3S)-1-pent-2-ynyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97195423
3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 70722751
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 97188791
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
CID 134697243
(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97201985
(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 72881750
2-(4-methylsulfanylphenyl)-1-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97273820
(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 96575360
4,4,4-trifluoro-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 72908257
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 80505562

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The IUPAC name of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine (CID 72873646) is 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine.
What is the SMILES notation for 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The canonical SMILES for 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine is CC(C)n1ccnc1C1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The InChIKey is DGIYDWWAQLOKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F4N3/c1-13(2)26-9-7-24-18(26)15-4-3-8-25(12-15)11-14-5-6-17(20)16(10-14)19(21,22)23/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3.
What are the key properties of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine?
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine has a molecular weight of 369.41 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine is sourced from PubChem (CID 72873646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).