(2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone

C17H26N2O — CID 64978469

IUPAC(2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(C)c(C)c2)C(CC)CN1
InChIInChI=1S/C17H26N2O/c1-5-15-11-19(16(6-2)10-18-15)17(20)14-8-7-12(3)13(4)9-14/h7-9,15-16,18H,5-6,10-11H2,1-4H3
InChIKeyCNRDXVAHWVUTAQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.91
Rot. Bonds3

About (2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone

(2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone (PubChem CID 64978469) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone
PubChem CID64978469
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(C)c(C)c2)C(CC)CN1
InChIInChI=1S/C17H26N2O/c1-5-15-11-19(16(6-2)10-18-15)17(20)14-8-7-12(3)13(4)9-14/h7-9,15-16,18H,5-6,10-11H2,1-4H3
InChIKeyCNRDXVAHWVUTAQ-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone (CID 64978469) is (2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone is CCC1CN(C(=O)c2ccc(C)c(C)c2)C(CC)CN1.
What is the InChIKey of (2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone?
The InChIKey is CNRDXVAHWVUTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-15-11-19(16(6-2)10-18-15)17(20)14-8-7-12(3)13(4)9-14/h7-9,15-16,18H,5-6,10-11H2,1-4H3.
What are the key properties of (2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone?
(2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone has a molecular weight of 274.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 64978469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).