2,5-diethyl-1-(3-methylcyclohexyl)piperazine

C15H30N2 — CID 64934041

IUPAC2,5-diethyl-1-(3-methylcyclohexyl)piperazine
SMILESCCC1CN(C2CCCC(C)C2)C(CC)CN1
InChIInChI=1S/C15H30N2/c1-4-13-11-17(14(5-2)10-16-13)15-8-6-7-12(3)9-15/h12-16H,4-11H2,1-3H3
InChIKeyCDAYEYBFNGCRNM-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds3

About 2,5-diethyl-1-(3-methylcyclohexyl)piperazine

2,5-diethyl-1-(3-methylcyclohexyl)piperazine (PubChem CID 64934041) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,5-diethyl-1-(3-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-(3-methylcyclohexyl)piperazine
PubChem CID64934041
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,5-diethyl-1-(3-methylcyclohexyl)piperazine
SMILESCCC1CN(C2CCCC(C)C2)C(CC)CN1
InChIInChI=1S/C15H30N2/c1-4-13-11-17(14(5-2)10-16-13)15-8-6-7-12(3)9-15/h12-16H,4-11H2,1-3H3
InChIKeyCDAYEYBFNGCRNM-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(3-methylcyclohexyl)piperazine?
The IUPAC name of 2,5-diethyl-1-(3-methylcyclohexyl)piperazine (CID 64934041) is 2,5-diethyl-1-(3-methylcyclohexyl)piperazine.
What is the SMILES notation for 2,5-diethyl-1-(3-methylcyclohexyl)piperazine?
The canonical SMILES for 2,5-diethyl-1-(3-methylcyclohexyl)piperazine is CCC1CN(C2CCCC(C)C2)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-(3-methylcyclohexyl)piperazine?
The InChIKey is CDAYEYBFNGCRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-13-11-17(14(5-2)10-16-13)15-8-6-7-12(3)9-15/h12-16H,4-11H2,1-3H3.
What are the key properties of 2,5-diethyl-1-(3-methylcyclohexyl)piperazine?
2,5-diethyl-1-(3-methylcyclohexyl)piperazine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-(3-methylcyclohexyl)piperazine is sourced from PubChem (CID 64934041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).