1-(4-methylpiperazin-1-yl)hexan-1-one

C11H22N2O — CID 3470875

IUPAC1-(4-methylpiperazin-1-yl)hexan-1-one
SMILESCCCCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-3-4-5-6-11(14)13-9-7-12(2)8-10-13/h3-10H2,1-2H3
InChIKeyTUBDWOUHWWRXLI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.34
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)hexan-1-one

1-(4-methylpiperazin-1-yl)hexan-1-one (PubChem CID 3470875) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)hexan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)hexan-1-one
PubChem CID3470875
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(4-methylpiperazin-1-yl)hexan-1-one
SMILESCCCCCC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-3-4-5-6-11(14)13-9-7-12(2)8-10-13/h3-10H2,1-2H3
InChIKeyTUBDWOUHWWRXLI-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-methylpiperazin-1-yl)hexan-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-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-[4-(2-hydroxyethyl)piperazin-1-yl]decan-1-one
CID 43417107
1-(4-octadec-9-enoylpiperazin-1-yl)octadec-9-en-1-one
CID 54491403
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569
1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
CID 65449474
1-piperazin-1-ylpentadecan-1-one
CID 126705881

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)hexan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)hexan-1-one (CID 3470875) is 1-(4-methylpiperazin-1-yl)hexan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)hexan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)hexan-1-one is CCCCCC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)hexan-1-one?
The InChIKey is TUBDWOUHWWRXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-5-6-11(14)13-9-7-12(2)8-10-13/h3-10H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)hexan-1-one?
1-(4-methylpiperazin-1-yl)hexan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)hexan-1-one is sourced from PubChem (CID 3470875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).