1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine

C11H22N2 — CID 20709927

IUPAC1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine
SMILESCC/C=C/N1CCN(C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-4-5-6-12-7-9-13(10-8-12)11(2)3/h5-6,11H,4,7-10H2,1-3H3/b6-5+
InChIKeyWUOPLRWMQNISJP-AATRIKPKSA-N
MW182.31 g/mol
LogP1.94
Rot. Bonds3

About 1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine

1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine (PubChem CID 20709927) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine
PubChem CID20709927
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine
SMILESCC/C=C/N1CCN(C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-4-5-6-12-7-9-13(10-8-12)11(2)3/h5-6,11H,4,7-10H2,1-3H3/b6-5+
InChIKeyWUOPLRWMQNISJP-AATRIKPKSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine 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-[(E)-but-1-enyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine (CID 20709927) is 1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine is CC/C=C/N1CCN(C(C)C)CC1.
What is the InChIKey of 1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine?
The InChIKey is WUOPLRWMQNISJP-AATRIKPKSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-6-12-7-9-13(10-8-12)11(2)3/h5-6,11H,4,7-10H2,1-3H3/b6-5+.
What are the key properties of 1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine?
1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 20709927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).