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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-(4-chlorocyclohex-3-en-1-yl)piperidin-1-yl]-N-[(5-cyclohex-2-en-1-yl-4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methylbutan-2-amine
CID 58457890
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine
CID 71019352
1,2,3,4,4a,8,9,10,10a,10b-Decahydrobenzo[f]quinoline
CID 19045822
4a,5,6,8,9,10,10a,10b-Octahydrophenanthridine
CID 19093627
(1R,2R)-6-ethyl-8-methyl-1-propan-2-yl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828630
2-Cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),8-triene
CID 54159262
1-[2-(4a,6,7,8,9,9a-Hexahydrobenzo[7]annulen-5-ylidene)ethyl]piperazine
CID 54518235
(2S,12R)-2-cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),8-triene
CID 57044073
(2S,12R)-2-cycloheptyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),8-triene
CID 57048563
(1S)-N'-[(2R)-1-[4-(4-chlorocyclohexa-2,4-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1-(cyclohexen-1-yl)ethane-1,2-diamine
CID 58457324
6-[3-[[[(2R)-1-[4-(4-chlorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine
CID 58457743
3-[3-[[[(2R)-1-[4-(4-chlorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]cyclohexen-1-yl]-N-ethylcyclohexan-1-amine
CID 58457828

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).