1-(3,5-dimethylphenyl)-3,3-diethylpiperazine

C16H26N2 — CID 64925611

IUPAC1-(3,5-dimethylphenyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(c2cc(C)cc(C)c2)CCN1
InChIInChI=1S/C16H26N2/c1-5-16(6-2)12-18(8-7-17-16)15-10-13(3)9-14(4)11-15/h9-11,17H,5-8,12H2,1-4H3
InChIKeyYJCOEQULZQJNRX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.27
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-3,3-diethylpiperazine

1-(3,5-dimethylphenyl)-3,3-diethylpiperazine (PubChem CID 64925611) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3,3-diethylpiperazine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3,3-diethylpiperazine
PubChem CID64925611
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(3,5-dimethylphenyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(c2cc(C)cc(C)c2)CCN1
InChIInChI=1S/C16H26N2/c1-5-16(6-2)12-18(8-7-17-16)15-10-13(3)9-14(4)11-15/h9-11,17H,5-8,12H2,1-4H3
InChIKeyYJCOEQULZQJNRX-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3,3-diethylpiperazine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3,3-diethylpiperazine (CID 64925611) is 1-(3,5-dimethylphenyl)-3,3-diethylpiperazine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3,3-diethylpiperazine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3,3-diethylpiperazine is CCC1(CC)CN(c2cc(C)cc(C)c2)CCN1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3,3-diethylpiperazine?
The InChIKey is YJCOEQULZQJNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-16(6-2)12-18(8-7-17-16)15-10-13(3)9-14(4)11-15/h9-11,17H,5-8,12H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3,3-diethylpiperazine?
1-(3,5-dimethylphenyl)-3,3-diethylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3,3-diethylpiperazine is sourced from PubChem (CID 64925611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).