1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine

C18H30N2 — CID 70191231

IUPAC1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine
SMILESCC1=CCC(CN2CCN(C3=CCCCC3)CC2)CC1
InChIInChI=1S/C18H30N2/c1-16-7-9-17(10-8-16)15-19-11-13-20(14-12-19)18-5-3-2-4-6-18/h5,7,17H,2-4,6,8-15H2,1H3
InChIKeyDWDLBSKCQOLVJJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.81
Rot. Bonds3

About 1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine

1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine (PubChem CID 70191231) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine
PubChem CID70191231
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine
SMILESCC1=CCC(CN2CCN(C3=CCCCC3)CC2)CC1
InChIInChI=1S/C18H30N2/c1-16-7-9-17(10-8-16)15-19-11-13-20(14-12-19)18-5-3-2-4-6-18/h5,7,17H,2-4,6,8-15H2,1H3
InChIKeyDWDLBSKCQOLVJJ-UHFFFAOYSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine?
The IUPAC name of 1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine (CID 70191231) is 1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine is CC1=CCC(CN2CCN(C3=CCCCC3)CC2)CC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine?
The InChIKey is DWDLBSKCQOLVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-16-7-9-17(10-8-16)15-19-11-13-20(14-12-19)18-5-3-2-4-6-18/h5,7,17H,2-4,6,8-15H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine?
1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-[(4-methylcyclohex-3-en-1-yl)methyl]piperazine is sourced from PubChem (CID 70191231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).