1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine

C16H32N2 — CID 64924229

IUPAC1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(C2CCCC(C)C2C)CCN1
InChIInChI=1S/C16H32N2/c1-5-16(6-2)12-18(11-10-17-16)15-9-7-8-13(3)14(15)4/h13-15,17H,5-12H2,1-4H3
InChIKeyYBCFXXOZHNAORL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds3

About 1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine

1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine (PubChem CID 64924229) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine
PubChem CID64924229
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(C2CCCC(C)C2C)CCN1
InChIInChI=1S/C16H32N2/c1-5-16(6-2)12-18(11-10-17-16)15-9-7-8-13(3)14(15)4/h13-15,17H,5-12H2,1-4H3
InChIKeyYBCFXXOZHNAORL-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine (CID 64924229) is 1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine is CCC1(CC)CN(C2CCCC(C)C2C)CCN1.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine?
The InChIKey is YBCFXXOZHNAORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-16(6-2)12-18(11-10-17-16)15-9-7-8-13(3)14(15)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine?
1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine is sourced from PubChem (CID 64924229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).