[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C20H19BrF3NO2 — CID 46028816

IUPAC[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C20H19BrF3NO2/c21-17-9-3-14(4-10-17)13-27-18-2-1-11-25(12-18)19(26)15-5-7-16(8-6-15)20(22,23)24/h3-10,18H,1-2,11-13H2
InChIKeySNXDJYHNIMBKBV-UHFFFAOYSA-N
MW442.28 g/mol
LogP5.29
Rot. Bonds4

About [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 46028816) has the molecular formula C20H19BrF3NO2 and a molecular weight of 442.28 g/mol. Its IUPAC name is [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID46028816
Molecular FormulaC20H19BrF3NO2
Molecular Weight442.28 g/mol
Exact Mass441.06
IUPAC Name[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C20H19BrF3NO2/c21-17-9-3-14(4-10-17)13-27-18-2-1-11-25(12-18)19(26)15-5-7-16(8-6-15)20(22,23)24/h3-10,18H,1-2,11-13H2
InChIKeySNXDJYHNIMBKBV-UHFFFAOYSA-N
XLogP5.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.28
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 46028816) is [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(OCc2ccc(Br)cc2)C1.
What is the InChIKey of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is SNXDJYHNIMBKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF3NO2/c21-17-9-3-14(4-10-17)13-27-18-2-1-11-25(12-18)19(26)15-5-7-16(8-6-15)20(22,23)24/h3-10,18H,1-2,11-13H2.
What are the key properties of [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 442.28 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 46028816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).