[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C19H19BrFNO — CID 162659118

IUPAC[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19BrFNO/c20-17-5-1-14(2-6-17)13-22-11-9-16(10-12-22)19(23)15-3-7-18(21)8-4-15/h1-8,16H,9-13H2
InChIKeyTVFIFBBZNBHEJS-UHFFFAOYSA-N
MW376.27 g/mol
LogP4.68
Rot. Bonds4

About [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 162659118) has the molecular formula C19H19BrFNO and a molecular weight of 376.27 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID162659118
Molecular FormulaC19H19BrFNO
Molecular Weight376.27 g/mol
Exact Mass375.06
IUPAC Name[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19BrFNO/c20-17-5-1-14(2-6-17)13-22-11-9-16(10-12-22)19(23)15-3-7-18(21)8-4-15/h1-8,16H,9-13H2
InChIKeyTVFIFBBZNBHEJS-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)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 [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 162659118) is [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is TVFIFBBZNBHEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO/c20-17-5-1-14(2-6-17)13-22-11-9-16(10-12-22)19(23)15-3-7-18(21)8-4-15/h1-8,16H,9-13H2.
What are the key properties of [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 376.27 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 162659118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).