5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine

C18H36N2 — CID 64941846

IUPAC5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
SMILESCC1CCC(CCN2CC(C)(C)NCC2C(C)C)CC1
InChIInChI=1S/C18H36N2/c1-14(2)17-12-19-18(4,5)13-20(17)11-10-16-8-6-15(3)7-9-16/h14-17,19H,6-13H2,1-5H3
InChIKeyOIODXZCPWCWCFM-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds4

About 5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine

5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 64941846) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
PubChem CID64941846
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
SMILESCC1CCC(CCN2CC(C)(C)NCC2C(C)C)CC1
InChIInChI=1S/C18H36N2/c1-14(2)17-12-19-18(4,5)13-20(17)11-10-16-8-6-15(3)7-9-16/h14-17,19H,6-13H2,1-5H3
InChIKeyOIODXZCPWCWCFM-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine (CID 64941846) is 5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine is CC1CCC(CCN2CC(C)(C)NCC2C(C)C)CC1.
What is the InChIKey of 5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is OIODXZCPWCWCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)17-12-19-18(4,5)13-20(17)11-10-16-8-6-15(3)7-9-16/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine?
5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64941846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).