(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone

C14H18BrFN2O — CID 43420911

IUPAC(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H18BrFN2O/c1-10(2)17-5-7-18(8-6-17)14(19)12-4-3-11(15)9-13(12)16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyMEOVJPPRSUPNHB-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.75
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone

(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 43420911) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID43420911
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H18BrFN2O/c1-10(2)17-5-7-18(8-6-17)14(19)12-4-3-11(15)9-13(12)16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyMEOVJPPRSUPNHB-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317604
(4-bromo-2-fluoro-5-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 167312108
(4-bromo-2-fluorophenyl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850149
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337633
(4-bromo-2-fluorophenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 60954864
(4-bromo-2-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 55215467
2-[4-(2,5-dibromobenzoyl)piperazin-1-yl]propanoic acid
CID 114367989
(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 154840193
(4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484600
(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 113237342
(4-bromo-2-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 17446861
(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918089

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 43420911) is (4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is MEOVJPPRSUPNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-10(2)17-5-7-18(8-6-17)14(19)12-4-3-11(15)9-13(12)16/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 329.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 43420911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).