(3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine

C11H22N2 — CID 66874002

IUPAC(3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine
SMILESC=CCN1CCN[C@@H](CC(C)C)C1
InChIInChI=1S/C11H22N2/c1-4-6-13-7-5-12-11(9-13)8-10(2)3/h4,10-12H,1,5-9H2,2-3H3/t11-/m0/s1
InChIKeyMYCLOQJCGXTWQJ-NSHDSACASA-N
MW182.31 g/mol
LogP1.49
Rot. Bonds4

About (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine

(3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine (PubChem CID 66874002) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name(3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine
PubChem CID66874002
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine
SMILESC=CCN1CCN[C@@H](CC(C)C)C1
InChIInChI=1S/C11H22N2/c1-4-6-13-7-5-12-11(9-13)8-10(2)3/h4,10-12H,1,5-9H2,2-3H3/t11-/m0/s1
InChIKeyMYCLOQJCGXTWQJ-NSHDSACASA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine 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 (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine?
The IUPAC name of (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine (CID 66874002) is (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine.
What is the SMILES notation for (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine?
The canonical SMILES for (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine is C=CCN1CCN[C@@H](CC(C)C)C1.
What is the InChIKey of (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine?
The InChIKey is MYCLOQJCGXTWQJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2/c1-4-6-13-7-5-12-11(9-13)8-10(2)3/h4,10-12H,1,5-9H2,2-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine?
(3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylpropyl)-1-prop-2-enylpiperazine is sourced from PubChem (CID 66874002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).