1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine

C16H32N2 — CID 65462507

IUPAC1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine
SMILESCC(C)(C)C1CCC(N2CCNCC2(C)C)CC1
InChIInChI=1S/C16H32N2/c1-15(2,3)13-6-8-14(9-7-13)18-11-10-17-12-16(18,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyLDECROZKUHKRRN-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds1

About 1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine

1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine (PubChem CID 65462507) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine
PubChem CID65462507
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine
SMILESCC(C)(C)C1CCC(N2CCNCC2(C)C)CC1
InChIInChI=1S/C16H32N2/c1-15(2,3)13-6-8-14(9-7-13)18-11-10-17-12-16(18,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyLDECROZKUHKRRN-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine (CID 65462507) is 1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine is CC(C)(C)C1CCC(N2CCNCC2(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine?
The InChIKey is LDECROZKUHKRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-15(2,3)13-6-8-14(9-7-13)18-11-10-17-12-16(18,4)5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine?
1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 65462507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).