1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine

C19H30N2 — CID 143071755

IUPAC1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine
SMILESCC1CC=CC(N2CCNCC2)=C1/C1=C/CCCCCC1
InChIInChI=1S/C19H30N2/c1-16-8-7-11-18(21-14-12-20-13-15-21)19(16)17-9-5-3-2-4-6-10-17/h7,9,11,16,20H,2-6,8,10,12-15H2,1H3/b17-9+
InChIKeyJRMDRDBAZAJQDF-RQZCQDPDSA-N
MW286.46 g/mol
LogP4.02
Rot. Bonds2

About 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine

1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine (PubChem CID 143071755) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine
PubChem CID143071755
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine
SMILESCC1CC=CC(N2CCNCC2)=C1/C1=C/CCCCCC1
InChIInChI=1S/C19H30N2/c1-16-8-7-11-18(21-14-12-20-13-15-21)19(16)17-9-5-3-2-4-6-10-17/h7,9,11,16,20H,2-6,8,10,12-15H2,1H3/b17-9+
InChIKeyJRMDRDBAZAJQDF-RQZCQDPDSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]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

1-(3,7,11,15-Tetramethylhexadec-2-enyl)piperazine
CID 54263791
1-[2-(4a,6,7,8,9,9a-Hexahydrobenzo[7]annulen-5-ylidene)ethyl]piperazine
CID 54518235
1-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine
CID 59672005
4-[(2R)-4-cyclohexa-2,4-dien-1-yl-5-methyl-2,3-dihydro-1H-pyrrol-2-yl]piperidine
CID 68084345
(1R)-3-(2-methylpropyl)-2,4,4a,5,6,6a-hexahydro-1H-benzo[f]isoquinolin-1-amine
CID 69469577
4-pentyl-2-prop-2-enyl-3,4,4a,5-tetrahydro-1H-isoquinolin-8-amine
CID 70500031
1-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine
CID 70596987
1-(4,4a,5,6-Tetrahydronaphthalen-1-yl)piperazine
CID 70974530
1-Phytyl-piperazine
CID 86737104
6-Ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine
CID 89105849
1-(4-Propan-2-yl-4a,7,8,8a-tetrahydronaphthalen-2-yl)piperazine
CID 123465698
1-[(E)-3-[(Z)-2-cyclooctylethenyl]pent-3-en-2-yl]piperazine
CID 129043100

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine?
The IUPAC name of 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine (CID 143071755) is 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine.
What is the SMILES notation for 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine?
The canonical SMILES for 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine is CC1CC=CC(N2CCNCC2)=C1/C1=C/CCCCCC1.
What is the InChIKey of 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine?
The InChIKey is JRMDRDBAZAJQDF-RQZCQDPDSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-8-7-11-18(21-14-12-20-13-15-21)19(16)17-9-5-3-2-4-6-10-17/h7,9,11,16,20H,2-6,8,10,12-15H2,1H3/b17-9+.
What are the key properties of 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine?
1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine has a molecular weight of 286.46 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1E)-cycloocten-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]piperazine is sourced from PubChem (CID 143071755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).