1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine

C21H34N2O — CID 156846686

IUPAC1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine
SMILESCC1CCC(OCCN2CCN(C)CC2)C(Cc2ccccc2)C1
InChIInChI=1S/C21H34N2O/c1-18-8-9-21(20(16-18)17-19-6-4-3-5-7-19)24-15-14-23-12-10-22(2)11-13-23/h3-7,18,20-21H,8-17H2,1-2H3
InChIKeyCZJOCLPZWRXFIN-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine

1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine (PubChem CID 156846686) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine
PubChem CID156846686
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine
SMILESCC1CCC(OCCN2CCN(C)CC2)C(Cc2ccccc2)C1
InChIInChI=1S/C21H34N2O/c1-18-8-9-21(20(16-18)17-19-6-4-3-5-7-19)24-15-14-23-12-10-22(2)11-13-23/h3-7,18,20-21H,8-17H2,1-2H3
InChIKeyCZJOCLPZWRXFIN-UHFFFAOYSA-N
XLogP3.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine (CID 156846686) is 1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine is CC1CCC(OCCN2CCN(C)CC2)C(Cc2ccccc2)C1.
What is the InChIKey of 1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine?
The InChIKey is CZJOCLPZWRXFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-18-8-9-21(20(16-18)17-19-6-4-3-5-7-19)24-15-14-23-12-10-22(2)11-13-23/h3-7,18,20-21H,8-17H2,1-2H3.
What are the key properties of 1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine?
1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine has a molecular weight of 330.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzyl-4-methylcyclohexyl)oxyethyl]-4-methylpiperazine is sourced from PubChem (CID 156846686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).