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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Related Compounds

1-cyclooctyl-3-cyclopropylpiperazine
CID 64924583
1-cycloheptyl-3-cyclohexyl-1,4-diazepane
CID 64945306
1-(4,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952038
3-cyclohexyl-1-(3-ethylcyclohexyl)piperazine
CID 64953854
3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane
CID 64942966
3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 107854036
3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane
CID 64950047
3-cyclohexyl-1-(2-methoxycyclopentyl)piperazine
CID 64954553
3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine
CID 82737480
3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine
CID 83039042
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
CID 64944124

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).