1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine

C18H28N2O — CID 64844557

IUPAC1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine
SMILESCOC1CCCC(N2CC(C)NCC2c2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-14-13-20(16-9-6-10-17(11-16)21-2)18(12-19-14)15-7-4-3-5-8-15/h3-5,7-8,14,16-19H,6,9-13H2,1-2H3
InChIKeyDZTABPNMHCSZFF-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.98
Rot. Bonds3

About 1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine

1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine (PubChem CID 64844557) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine
PubChem CID64844557
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine
SMILESCOC1CCCC(N2CC(C)NCC2c2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-14-13-20(16-9-6-10-17(11-16)21-2)18(12-19-14)15-7-4-3-5-8-15/h3-5,7-8,14,16-19H,6,9-13H2,1-2H3
InChIKeyDZTABPNMHCSZFF-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine?
The IUPAC name of 1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine (CID 64844557) is 1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine?
The canonical SMILES for 1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine is COC1CCCC(N2CC(C)NCC2c2ccccc2)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine?
The InChIKey is DZTABPNMHCSZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-13-20(16-9-6-10-17(11-16)21-2)18(12-19-14)15-7-4-3-5-8-15/h3-5,7-8,14,16-19H,6,9-13H2,1-2H3.
What are the key properties of 1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine?
1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine has a molecular weight of 288.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 64844557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).