2,2-dimethyl-1-pent-4-enylpiperazine

C11H22N2 — CID 65463212

IUPAC2,2-dimethyl-1-pent-4-enylpiperazine
SMILESC=CCCCN1CCNCC1(C)C
InChIInChI=1S/C11H22N2/c1-4-5-6-8-13-9-7-12-10-11(13,2)3/h4,12H,1,5-10H2,2-3H3
InChIKeyBZWHJNCKDTWLQU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds4

About 2,2-dimethyl-1-pent-4-enylpiperazine

2,2-dimethyl-1-pent-4-enylpiperazine (PubChem CID 65463212) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-pent-4-enylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-pent-4-enylpiperazine
PubChem CID65463212
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2,2-dimethyl-1-pent-4-enylpiperazine
SMILESC=CCCCN1CCNCC1(C)C
InChIInChI=1S/C11H22N2/c1-4-5-6-8-13-9-7-12-10-11(13,2)3/h4,12H,1,5-10H2,2-3H3
InChIKeyBZWHJNCKDTWLQU-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
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 2,2-dimethyl-1-pent-4-enylpiperazine 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

2,2-Diallylpiperazine
CID 686590
2,2-Diallylpiperazine dihydrochloride
CID 2892821
1-(But-3-en-1-yl)piperazine
CID 10329388
1-But-3-en-2-ylpiperazine
CID 12530650
2-[(E)-hex-2-enyl]piperazine
CID 18958795
1,1,2,2-Tetrakis(prop-2-enyl)piperazin-1-ium
CID 19604703
1,1,2,2-Tetrakis(prop-2-enyl)piperazin-1-ium chloride
CID 20245397
2,5,5-Trimethyl-1-prop-2-enylpiperazine
CID 20612347
1-Hept-6-en-3-ylpiperazine
CID 22375101
1-Ethyl-2-prop-2-enylpiperazine
CID 22918265
1-Methyl-2-prop-2-enylpiperazine
CID 22918318
1-Methyl-3-prop-2-enylpiperazine
CID 23395683

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pent-4-enylpiperazine?
The IUPAC name of 2,2-dimethyl-1-pent-4-enylpiperazine (CID 65463212) is 2,2-dimethyl-1-pent-4-enylpiperazine.
What is the SMILES notation for 2,2-dimethyl-1-pent-4-enylpiperazine?
The canonical SMILES for 2,2-dimethyl-1-pent-4-enylpiperazine is C=CCCCN1CCNCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-pent-4-enylpiperazine?
The InChIKey is BZWHJNCKDTWLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-6-8-13-9-7-12-10-11(13,2)3/h4,12H,1,5-10H2,2-3H3.
What are the key properties of 2,2-dimethyl-1-pent-4-enylpiperazine?
2,2-dimethyl-1-pent-4-enylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pent-4-enylpiperazine is sourced from PubChem (CID 65463212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).