2-pentyl-1,4-bis(prop-2-enyl)piperazine

C15H28N2 — CID 67045067

IUPAC2-pentyl-1,4-bis(prop-2-enyl)piperazine
SMILESC=CCN1CCN(CC=C)C(CCCCC)C1
InChIInChI=1S/C15H28N2/c1-4-7-8-9-15-14-16(10-5-2)12-13-17(15)11-6-3/h5-6,15H,2-4,7-14H2,1H3
InChIKeyWBDJVWXPCXCUIA-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.92
Rot. Bonds8

About 2-pentyl-1,4-bis(prop-2-enyl)piperazine

2-pentyl-1,4-bis(prop-2-enyl)piperazine (PubChem CID 67045067) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-pentyl-1,4-bis(prop-2-enyl)piperazine.

Molecular Properties

Compound Name2-pentyl-1,4-bis(prop-2-enyl)piperazine
PubChem CID67045067
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-pentyl-1,4-bis(prop-2-enyl)piperazine
SMILESC=CCN1CCN(CC=C)C(CCCCC)C1
InChIInChI=1S/C15H28N2/c1-4-7-8-9-15-14-16(10-5-2)12-13-17(15)11-6-3/h5-6,15H,2-4,7-14H2,1H3
InChIKeyWBDJVWXPCXCUIA-UHFFFAOYSA-N
XLogP2.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
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 2-pentyl-1,4-bis(prop-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

Related Compounds

2-Methyl-1,4-bis(prop-2-enyl)piperazine
CID 517346
N-allyl-2-methylpiperidine
CID 13264660
N-[(5-fluoro-1-methylpiperidin-2-yl)methyl]-N-methylprop-2-en-1-amine
CID 139302721
4-But-3-en-2-yl-2-(2-fluoropropyl)-1-propan-2-ylpiperazine
CID 148614921
1-Propan-2-yl-4-prop-2-enylpiperazine
CID 20613816
1-Pentan-3-yl-4-prop-2-enylpiperazine
CID 20735227
1-Pentyl-4-prop-2-enylpiperazine
CID 66656054
1-Cyclohexyl-4-prop-2-enylpiperazine
CID 67027483
1-Butyl-4-prop-2-enylpiperazine
CID 144889573
1-Butan-2-yl-4-prop-2-enylpiperazine
CID 166800367
(2R,5S)-2,5-Dimethyl-1,4-di(prop-2-en-1-yl)piperazine
CID 29977824
2,6-Dimethyl-1-prop-2-enylpiperidine
CID 15260811

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,4-bis(prop-2-enyl)piperazine?
The IUPAC name of 2-pentyl-1,4-bis(prop-2-enyl)piperazine (CID 67045067) is 2-pentyl-1,4-bis(prop-2-enyl)piperazine.
What is the SMILES notation for 2-pentyl-1,4-bis(prop-2-enyl)piperazine?
The canonical SMILES for 2-pentyl-1,4-bis(prop-2-enyl)piperazine is C=CCN1CCN(CC=C)C(CCCCC)C1.
What is the InChIKey of 2-pentyl-1,4-bis(prop-2-enyl)piperazine?
The InChIKey is WBDJVWXPCXCUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-7-8-9-15-14-16(10-5-2)12-13-17(15)11-6-3/h5-6,15H,2-4,7-14H2,1H3.
What are the key properties of 2-pentyl-1,4-bis(prop-2-enyl)piperazine?
2-pentyl-1,4-bis(prop-2-enyl)piperazine has a molecular weight of 236.40 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,4-bis(prop-2-enyl)piperazine is sourced from PubChem (CID 67045067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).