1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one

C17H26N2O — CID 110707794

IUPAC1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCN(C)CC2C)cc1
InChIInChI=1S/C17H26N2O/c1-4-15-5-7-16(8-6-15)9-10-17(20)19-12-11-18(3)13-14(19)2/h5-8,14H,4,9-13H2,1-3H3
InChIKeyIUHVYBJUHAMERG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.34
Rot. Bonds4

About 1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one

1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one (PubChem CID 110707794) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one
PubChem CID110707794
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCN(C)CC2C)cc1
InChIInChI=1S/C17H26N2O/c1-4-15-5-7-16(8-6-15)9-10-17(20)19-12-11-18(3)13-14(19)2/h5-8,14H,4,9-13H2,1-3H3
InChIKeyIUHVYBJUHAMERG-UHFFFAOYSA-N
XLogP2.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one?
The IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one (CID 110707794) is 1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one is CCc1ccc(CCC(=O)N2CCN(C)CC2C)cc1.
What is the InChIKey of 1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one?
The InChIKey is IUHVYBJUHAMERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-15-5-7-16(8-6-15)9-10-17(20)19-12-11-18(3)13-14(19)2/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of 1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one?
1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperazin-1-yl)-3-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 110707794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).