1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine

C22H42N2 — CID 14553998

IUPAC1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine
SMILESCC1(C)CCCC(N2CCN(C3CCC(C(C)(C)C)CC3)CC2)C1
InChIInChI=1S/C22H42N2/c1-21(2,3)18-8-10-19(11-9-18)23-13-15-24(16-14-23)20-7-6-12-22(4,5)17-20/h18-20H,6-17H2,1-5H3
InChIKeyVGQNDEDIBNKAHL-UHFFFAOYSA-N
MW334.59 g/mol
LogP5.18
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine

1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine (PubChem CID 14553998) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine
PubChem CID14553998
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine
SMILESCC1(C)CCCC(N2CCN(C3CCC(C(C)(C)C)CC3)CC2)C1
InChIInChI=1S/C22H42N2/c1-21(2,3)18-8-10-19(11-9-18)23-13-15-24(16-14-23)20-7-6-12-22(4,5)17-20/h18-20H,6-17H2,1-5H3
InChIKeyVGQNDEDIBNKAHL-UHFFFAOYSA-N
XLogP5.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine (CID 14553998) is 1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine is CC1(C)CCCC(N2CCN(C3CCC(C(C)(C)C)CC3)CC2)C1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine?
The InChIKey is VGQNDEDIBNKAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-21(2,3)18-8-10-19(11-9-18)23-13-15-24(16-14-23)20-7-6-12-22(4,5)17-20/h18-20H,6-17H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine?
1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine has a molecular weight of 334.59 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine is sourced from PubChem (CID 14553998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).