(4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone

C19H18BrF2NO2 — CID 46029070

IUPAC(4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCCC(OCc2cc(F)ccc2F)C1
InChIInChI=1S/C19H18BrF2NO2/c20-15-5-3-13(4-6-15)19(24)23-9-1-2-17(11-23)25-12-14-10-16(21)7-8-18(14)22/h3-8,10,17H,1-2,9,11-12H2
InChIKeyWPYDTYSGWNSAII-UHFFFAOYSA-N
MW410.26 g/mol
LogP4.55
Rot. Bonds4

About (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone

(4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 46029070) has the molecular formula C19H18BrF2NO2 and a molecular weight of 410.26 g/mol. Its IUPAC name is (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID46029070
Molecular FormulaC19H18BrF2NO2
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC Name(4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCCC(OCc2cc(F)ccc2F)C1
InChIInChI=1S/C19H18BrF2NO2/c20-15-5-3-13(4-6-15)19(24)23-9-1-2-17(11-23)25-12-14-10-16(21)7-8-18(14)22/h3-8,10,17H,1-2,9,11-12H2
InChIKeyWPYDTYSGWNSAII-UHFFFAOYSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]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 (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone (CID 46029070) is (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCCC(OCc2cc(F)ccc2F)C1.
What is the InChIKey of (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is WPYDTYSGWNSAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2NO2/c20-15-5-3-13(4-6-15)19(24)23-9-1-2-17(11-23)25-12-14-10-16(21)7-8-18(14)22/h3-8,10,17H,1-2,9,11-12H2.
What are the key properties of (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone?
(4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 410.26 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 46029070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).