1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine

C18H28N2 — CID 117434167

IUPAC1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine
SMILESCC1CCC(c2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C18H28N2/c1-15-2-6-17(7-3-15)18-8-4-16(5-9-18)14-20-12-10-19-11-13-20/h4-5,8-9,15,17,19H,2-3,6-7,10-14H2,1H3
InChIKeyISCYDEBSBAOYPL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.39
Rot. Bonds3

About 1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine

1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine (PubChem CID 117434167) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine
PubChem CID117434167
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine
SMILESCC1CCC(c2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C18H28N2/c1-15-2-6-17(7-3-15)18-8-4-16(5-9-18)14-20-12-10-19-11-13-20/h4-5,8-9,15,17,19H,2-3,6-7,10-14H2,1H3
InChIKeyISCYDEBSBAOYPL-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine (CID 117434167) is 1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine is CC1CCC(c2ccc(CN3CCNCC3)cc2)CC1.
What is the InChIKey of 1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine?
The InChIKey is ISCYDEBSBAOYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-2-6-17(7-3-15)18-8-4-16(5-9-18)14-20-12-10-19-11-13-20/h4-5,8-9,15,17,19H,2-3,6-7,10-14H2,1H3.
What are the key properties of 1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine?
1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine is sourced from PubChem (CID 117434167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).