1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one

C15H30N2O2 — CID 165146296

IUPAC1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOCCCCCCN1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-14(2)15(18)17-11-9-16(10-12-17)8-6-4-5-7-13-19-3/h14H,4-13H2,1-3H3
InChIKeyHPVAERCYIVUNLJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.99
Rot. Bonds8

About 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 165146296) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID165146296
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOCCCCCCN1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-14(2)15(18)17-11-9-16(10-12-17)8-6-4-5-7-13-19-3/h14H,4-13H2,1-3H3
InChIKeyHPVAERCYIVUNLJ-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one 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

1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylpropan-1-one
CID 43251783
methyl 4-(3-methoxypropyl)piperazine-1-carboxylate
CID 113073390
[4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone
CID 156820201
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
CID 171083706
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
1-(2-chloroethyl)-4-(4-methoxybutyl)piperazine
CID 104649698
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
CID 104649772
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one (CID 165146296) is 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one is COCCCCCCN1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is HPVAERCYIVUNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14(2)15(18)17-11-9-16(10-12-17)8-6-4-5-7-13-19-3/h14H,4-13H2,1-3H3.
What are the key properties of 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 270.42 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 165146296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).