1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

C14H19BrN2O — CID 116924027

IUPAC1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-11(10-17-7-5-16-6-8-17)14(18)12-3-2-4-13(15)9-12/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeySOBJQANQQWXODO-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.17
Rot. Bonds4

About 1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (PubChem CID 116924027) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
PubChem CID116924027
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-11(10-17-7-5-16-6-8-17)14(18)12-3-2-4-13(15)9-12/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeySOBJQANQQWXODO-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
CID 83559257
3-bromo-N-(piperazin-1-ylmethyl)benzamide
CID 82163232
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266153
1-(3-bromophenyl)-2-(1,4-diazepan-1-yl)ethanone
CID 62036990
2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
CID 82263601
2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one
CID 82263492
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol
CID 11360223
1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82263314
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol
CID 141128657

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (CID 116924027) is 1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is CC(CN1CCNCC1)C(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The InChIKey is SOBJQANQQWXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-11(10-17-7-5-16-6-8-17)14(18)12-3-2-4-13(15)9-12/h2-4,9,11,16H,5-8,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one has a molecular weight of 311.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 116924027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).