1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine

C23H34N2 — CID 90179393

IUPAC1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine
SMILESC1=CC(C(C2C=CCCC2)(C2C=CCCC2)N2CCNCC2)=CCC1
InChIInChI=1S/C23H34N2/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)25-18-16-24-17-19-25/h4,6,8,10-12,14,21-22,24H,1-3,5,7,9,13,15-19H2
InChIKeyOQUPUTPRCYFLJJ-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.62
Rot. Bonds4

About 1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine

1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine (PubChem CID 90179393) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine
PubChem CID90179393
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine
SMILESC1=CC(C(C2C=CCCC2)(C2C=CCCC2)N2CCNCC2)=CCC1
InChIInChI=1S/C23H34N2/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)25-18-16-24-17-19-25/h4,6,8,10-12,14,21-22,24H,1-3,5,7,9,13,15-19H2
InChIKeyOQUPUTPRCYFLJJ-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.62
H-Bond Donors ≤ 51
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-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine?
The IUPAC name of 1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine (CID 90179393) is 1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine.
What is the SMILES notation for 1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine?
The canonical SMILES for 1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine is C1=CC(C(C2C=CCCC2)(C2C=CCCC2)N2CCNCC2)=CCC1.
What is the InChIKey of 1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine?
The InChIKey is OQUPUTPRCYFLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)25-18-16-24-17-19-25/h4,6,8,10-12,14,21-22,24H,1-3,5,7,9,13,15-19H2.
What are the key properties of 1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine?
1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine has a molecular weight of 338.54 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine is sourced from PubChem (CID 90179393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).