1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine

C18H32N2 — CID 70082719

IUPAC1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine
SMILESC=CCC1(N2CCNCC2)CC=C(CCCCC)CC1
InChIInChI=1S/C18H32N2/c1-3-5-6-7-17-8-11-18(10-4-2,12-9-17)20-15-13-19-14-16-20/h4,8,19H,2-3,5-7,9-16H2,1H3
InChIKeyHPQSEGCLRURBDI-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.90
Rot. Bonds7

About 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine

1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine (PubChem CID 70082719) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine.

Molecular Properties

Compound Name1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine
PubChem CID70082719
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine
SMILESC=CCC1(N2CCNCC2)CC=C(CCCCC)CC1
InChIInChI=1S/C18H32N2/c1-3-5-6-7-17-8-11-18(10-4-2,12-9-17)20-15-13-19-14-16-20/h4,8,19H,2-3,5-7,9-16H2,1H3
InChIKeyHPQSEGCLRURBDI-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine?
The IUPAC name of 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine (CID 70082719) is 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine.
What is the SMILES notation for 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine?
The canonical SMILES for 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine is C=CCC1(N2CCNCC2)CC=C(CCCCC)CC1.
What is the InChIKey of 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine?
The InChIKey is HPQSEGCLRURBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-5-6-7-17-8-11-18(10-4-2,12-9-17)20-15-13-19-14-16-20/h4,8,19H,2-3,5-7,9-16H2,1H3.
What are the key properties of 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine?
1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine has a molecular weight of 276.47 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentyl-1-prop-2-enylcyclohex-3-en-1-yl)piperazine is sourced from PubChem (CID 70082719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).