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

C19H18BrF2NO2 — CID 46028872

IUPAC(3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCCC(OCc2ccc(F)cc2F)C1
InChIInChI=1S/C19H18BrF2NO2/c20-15-4-1-3-13(9-15)19(24)23-8-2-5-17(11-23)25-12-14-6-7-16(21)10-18(14)22/h1,3-4,6-7,9-10,17H,2,5,8,11-12H2
InChIKeyONYAQBQZUIJPGR-UHFFFAOYSA-N
MW410.26 g/mol
LogP4.55
Rot. Bonds4

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

(3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 46028872) has the molecular formula C19H18BrF2NO2 and a molecular weight of 410.26 g/mol. Its IUPAC name is (3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID46028872
Molecular FormulaC19H18BrF2NO2
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC Name(3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCCC(OCc2ccc(F)cc2F)C1
InChIInChI=1S/C19H18BrF2NO2/c20-15-4-1-3-13(9-15)19(24)23-8-2-5-17(11-23)25-12-14-6-7-16(21)10-18(14)22/h1,3-4,6-7,9-10,17H,2,5,8,11-12H2
InChIKeyONYAQBQZUIJPGR-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 (3-bromophenyl)-[3-[(2,4-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 (3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone (CID 46028872) is (3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCCC(OCc2ccc(F)cc2F)C1.
What is the InChIKey of (3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is ONYAQBQZUIJPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2NO2/c20-15-4-1-3-13(9-15)19(24)23-8-2-5-17(11-23)25-12-14-6-7-16(21)10-18(14)22/h1,3-4,6-7,9-10,17H,2,5,8,11-12H2.
What are the key properties of (3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone?
(3-bromophenyl)-[3-[(2,4-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 (3-bromophenyl)-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 46028872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).