(3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone

C15H22N2O — CID 807786

IUPAC(3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C15H22N2O/c1-4-16-7-9-17(10-8-16)15(18)14-6-5-12(2)13(3)11-14/h5-6,11H,4,7-10H2,1-3H3
InChIKeyARBWTUWVRPAEFC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.08
Rot. Bonds2

About (3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone

(3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 807786) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID807786
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C15H22N2O/c1-4-16-7-9-17(10-8-16)15(18)14-6-5-12(2)13(3)11-14/h5-6,11H,4,7-10H2,1-3H3
InChIKeyARBWTUWVRPAEFC-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 807786) is (3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of (3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is ARBWTUWVRPAEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-16-7-9-17(10-8-16)15(18)14-6-5-12(2)13(3)11-14/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone?
(3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 807786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).