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

C19H18BrF2NO2 — CID 46028902

IUPAC(4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCCC(OCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H18BrF2NO2/c20-15-6-4-14(5-7-15)19(24)23-9-1-2-16(11-23)25-12-13-3-8-17(21)18(22)10-13/h3-8,10,16H,1-2,9,11-12H2
InChIKeyRZZKLOOLSMBIAL-UHFFFAOYSA-N
MW410.26 g/mol
LogP4.55
Rot. Bonds4

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

(4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 46028902) has the molecular formula C19H18BrF2NO2 and a molecular weight of 410.26 g/mol. Its IUPAC name is (4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID46028902
Molecular FormulaC19H18BrF2NO2
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC Name(4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCCC(OCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H18BrF2NO2/c20-15-6-4-14(5-7-15)19(24)23-9-1-2-16(11-23)25-12-13-3-8-17(21)18(22)10-13/h3-8,10,16H,1-2,9,11-12H2
InChIKeyRZZKLOOLSMBIAL-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

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone (CID 46028902) is (4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCCC(OCc2ccc(F)c(F)c2)C1.
What is the InChIKey of (4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is RZZKLOOLSMBIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2NO2/c20-15-6-4-14(5-7-15)19(24)23-9-1-2-16(11-23)25-12-13-3-8-17(21)18(22)10-13/h3-8,10,16H,1-2,9,11-12H2.
What are the key properties of (4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone?
(4-bromophenyl)-[3-[(3,4-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 (4-bromophenyl)-[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 46028902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).