(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C20H19F4NO — CID 46086895

IUPAC(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H19F4NO/c21-18-13-16(6-7-17(18)20(22,23)24)19(26)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2
InChIKeyKHRQEHGWQFEHMJ-UHFFFAOYSA-N
MW365.37 g/mol
LogP4.94
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 46086895) has the molecular formula C20H19F4NO and a molecular weight of 365.37 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID46086895
Molecular FormulaC20H19F4NO
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H19F4NO/c21-18-13-16(6-7-17(18)20(22,23)24)19(26)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2
InChIKeyKHRQEHGWQFEHMJ-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
ethyl 1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730821
5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide
CID 9414275
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 173469715
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
3-[1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757731
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546114
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 46086895) is (4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is KHRQEHGWQFEHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4NO/c21-18-13-16(6-7-17(18)20(22,23)24)19(26)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 365.37 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 46086895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).