1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone

C13H24N2O — CID 89459519

IUPAC1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone
SMILESC=C(CCC(C)C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H24N2O/c1-11(2)5-6-12(3)14-7-9-15(10-8-14)13(4)16/h11H,3,5-10H2,1-2,4H3
InChIKeyNSKBJVLRDHBGSN-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.10
Rot. Bonds4

About 1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone

1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone (PubChem CID 89459519) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone
PubChem CID89459519
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone
SMILESC=C(CCC(C)C)N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H24N2O/c1-11(2)5-6-12(3)14-7-9-15(10-8-14)13(4)16/h11H,3,5-10H2,1-2,4H3
InChIKeyNSKBJVLRDHBGSN-UHFFFAOYSA-N
XLogP2.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone 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-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone (CID 89459519) is 1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone is C=C(CCC(C)C)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone?
The InChIKey is NSKBJVLRDHBGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)5-6-12(3)14-7-9-15(10-8-14)13(4)16/h11H,3,5-10H2,1-2,4H3.
What are the key properties of 1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone?
1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone has a molecular weight of 224.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylhex-1-en-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 89459519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).