[3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C19H17BrF3NO — CID 170459985

IUPAC[3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2ccccc2Br)c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H17BrF3NO/c20-17-9-2-1-8-16(17)13-5-3-6-14(11-13)18(25)24-10-4-7-15(12-24)19(21,22)23/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyOJIKZQDSRDNWIZ-UHFFFAOYSA-N
MW412.25 g/mol
LogP5.53
Rot. Bonds2

About [3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 170459985) has the molecular formula C19H17BrF3NO and a molecular weight of 412.25 g/mol. Its IUPAC name is [3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID170459985
Molecular FormulaC19H17BrF3NO
Molecular Weight412.25 g/mol
Exact Mass411.04
IUPAC Name[3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2ccccc2Br)c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H17BrF3NO/c20-17-9-2-1-8-16(17)13-5-3-6-14(11-13)18(25)24-10-4-7-15(12-24)19(21,22)23/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyOJIKZQDSRDNWIZ-UHFFFAOYSA-N
XLogP5.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.25
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103841477
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987
[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 170459978
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
(3-bromo-5-fluoro-4-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 176513305
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754
[3-iodo-4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 172647493
(3-amino-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918239
1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
CID 119062026
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 170459985) is [3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cccc(-c2ccccc2Br)c1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of [3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is OJIKZQDSRDNWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3NO/c20-17-9-2-1-8-16(17)13-5-3-6-14(11-13)18(25)24-10-4-7-15(12-24)19(21,22)23/h1-3,5-6,8-9,11,15H,4,7,10,12H2.
What are the key properties of [3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 412.25 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 170459985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).