3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine

C18H34N2 — CID 64952444

IUPAC3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine
SMILESCC1(C)CCC(N2CCNC(C3CCCCC3)C2)CC1
InChIInChI=1S/C18H34N2/c1-18(2)10-8-16(9-11-18)20-13-12-19-17(14-20)15-6-4-3-5-7-15/h15-17,19H,3-14H2,1-2H3
InChIKeyPQPFBCAUEKVKJE-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds2

About 3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine

3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine (PubChem CID 64952444) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine
PubChem CID64952444
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine
SMILESCC1(C)CCC(N2CCNC(C3CCCCC3)C2)CC1
InChIInChI=1S/C18H34N2/c1-18(2)10-8-16(9-11-18)20-13-12-19-17(14-20)15-6-4-3-5-7-15/h15-17,19H,3-14H2,1-2H3
InChIKeyPQPFBCAUEKVKJE-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine (CID 64952444) is 3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine is CC1(C)CCC(N2CCNC(C3CCCCC3)C2)CC1.
What is the InChIKey of 3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine?
The InChIKey is PQPFBCAUEKVKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-18(2)10-8-16(9-11-18)20-13-12-19-17(14-20)15-6-4-3-5-7-15/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine?
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine is sourced from PubChem (CID 64952444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).