1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one

C15H22N2O — CID 655680

IUPAC1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(C)ccc2C)CC1
InChIInChI=1S/C15H22N2O/c1-4-15(18)17-9-7-16(8-10-17)14-11-12(2)5-6-13(14)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyFUQSSBZXPKOFGP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.36
Rot. Bonds2

About 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 655680) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one
PubChem CID655680
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(C)ccc2C)CC1
InChIInChI=1S/C15H22N2O/c1-4-15(18)17-9-7-16(8-10-17)14-11-12(2)5-6-13(14)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyFUQSSBZXPKOFGP-UHFFFAOYSA-N
XLogP2.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one (CID 655680) is 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(C)ccc2C)CC1.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is FUQSSBZXPKOFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-15(18)17-9-7-16(8-10-17)14-11-12(2)5-6-13(14)3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one?
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 655680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).