1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine

C26H36N2 — CID 143036769

IUPAC1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine
SMILESCCC1=CC=C=C2CC=C(C(CN3CCNCC3)C3CCCCC3)C=CC2=C1
InChIInChI=1S/C26H36N2/c1-2-21-7-6-10-22-11-12-24(13-14-25(22)19-21)26(23-8-4-3-5-9-23)20-28-17-15-27-16-18-28/h6-7,12-14,19,23,26-27H,2-5,8-9,11,15-18,20H2,1H3
InChIKeyKXILZIRJKVGHSK-UHFFFAOYSA-N
MW376.59 g/mol
LogP5.33
Rot. Bonds5

About 1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine

1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine (PubChem CID 143036769) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine
PubChem CID143036769
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine
SMILESCCC1=CC=C=C2CC=C(C(CN3CCNCC3)C3CCCCC3)C=CC2=C1
InChIInChI=1S/C26H36N2/c1-2-21-7-6-10-22-11-12-24(13-14-25(22)19-21)26(23-8-4-3-5-9-23)20-28-17-15-27-16-18-28/h6-7,12-14,19,23,26-27H,2-5,8-9,11,15-18,20H2,1H3
InChIKeyKXILZIRJKVGHSK-UHFFFAOYSA-N
XLogP5.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]piperazine
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1-[(4Z,6Z)-7-ethenyl-9-fluoro-9-methyl-2-(1-methylcycloheptyl)deca-4,6-dienyl]-3-ethylpiperazine
CID 143036842
1-[2-[2-[4-[(Z)-but-2-enyl]-5,6-difluorocyclohepta-1,3,5-trien-1-yl]cyclobutyl]ethyl]piperazine
CID 166907265
1-[2-(4a,6,7,8,9,9a-Hexahydrobenzo[7]annulen-5-ylidene)ethyl]piperazine
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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
1-(4-Pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine
CID 70082719
2-(1-Cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine
CID 70281343
1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohex-3-en-1-yl)methyl]pentane-1,2-diamine
CID 70993795
5,6-Dimethyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3-diene
CID 89126392
1-[Cyclohexa-1,5-dien-1-yl-di(cyclohex-2-en-1-yl)methyl]piperazine
CID 90179393
1-[4-[(4aR)-4a,7,8,8a-tetrahydronaphthalen-1-yl]butyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine?
The IUPAC name of 1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine (CID 143036769) is 1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine is CCC1=CC=C=C2CC=C(C(CN3CCNCC3)C3CCCCC3)C=CC2=C1.
What is the InChIKey of 1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine?
The InChIKey is KXILZIRJKVGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-2-21-7-6-10-22-11-12-24(13-14-25(22)19-21)26(23-8-4-3-5-9-23)20-28-17-15-27-16-18-28/h6-7,12-14,19,23,26-27H,2-5,8-9,11,15-18,20H2,1H3.
What are the key properties of 1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine?
1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine has a molecular weight of 376.59 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(7-ethyl-1H-heptalen-3-yl)ethyl]piperazine is sourced from PubChem (CID 143036769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).