(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C15H20BrFN2O — CID 60698441

IUPAC(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H20BrFN2O/c1-11(2)10-18-5-7-19(8-6-18)15(20)13-4-3-12(17)9-14(13)16/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyUNGFHCRBCXTPGU-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.00
Rot. Bonds3

About (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 60698441) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID60698441
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H20BrFN2O/c1-11(2)10-18-5-7-19(8-6-18)15(20)13-4-3-12(17)9-14(13)16/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyUNGFHCRBCXTPGU-UHFFFAOYSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-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

Related Compounds

(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156874
(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114371674
2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337718
(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107120733
(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328462
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430549
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
(2,4-dibromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 155541603
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
(2-bromo-4-fluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036772

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 60698441) is (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is UNGFHCRBCXTPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-11(2)10-18-5-7-19(8-6-18)15(20)13-4-3-12(17)9-14(13)16/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 343.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60698441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).