1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine

C15H29N3 — CID 70026882

IUPAC1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
SMILESC/C=C(/CCN1CCCCC1)CN1CCNCC1
InChIInChI=1S/C15H29N3/c1-2-15(14-18-12-7-16-8-13-18)6-11-17-9-4-3-5-10-17/h2,16H,3-14H2,1H3/b15-2-
InChIKeyYAOCHPIZJDLSQU-LXOGZNDWSA-N
MW251.42 g/mol
LogP1.71
Rot. Bonds5

About 1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine

1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine (PubChem CID 70026882) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
PubChem CID70026882
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
SMILESC/C=C(/CCN1CCCCC1)CN1CCNCC1
InChIInChI=1S/C15H29N3/c1-2-15(14-18-12-7-16-8-13-18)6-11-17-9-4-3-5-10-17/h2,16H,3-14H2,1H3/b15-2-
InChIKeyYAOCHPIZJDLSQU-LXOGZNDWSA-N
XLogP1.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]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-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine?
The IUPAC name of 1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine (CID 70026882) is 1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine.
What is the SMILES notation for 1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine?
The canonical SMILES for 1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine is C/C=C(/CCN1CCCCC1)CN1CCNCC1.
What is the InChIKey of 1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine?
The InChIKey is YAOCHPIZJDLSQU-LXOGZNDWSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-15(14-18-12-7-16-8-13-18)6-11-17-9-4-3-5-10-17/h2,16H,3-14H2,1H3/b15-2-.
What are the key properties of 1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine?
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine has a molecular weight of 251.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine is sourced from PubChem (CID 70026882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).