7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride

C12H24Cl2N2O — CID 87608449

IUPAC7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
SMILESCN1CCN(CCCCCCC(=O)Cl)CC1.Cl
InChIInChI=1S/C12H23ClN2O.ClH/c1-14-8-10-15(11-9-14)7-5-3-2-4-6-12(13)16;/h2-11H2,1H3;1H
InChIKeyILDCYJRBFUYQTP-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.37
Rot. Bonds7

About 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride

7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride (PubChem CID 87608449) has the molecular formula C12H24Cl2N2O and a molecular weight of 283.24 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
PubChem CID87608449
Molecular FormulaC12H24Cl2N2O
Molecular Weight283.24 g/mol
Exact Mass282.13
IUPAC Name7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
SMILESCN1CCN(CCCCCCC(=O)Cl)CC1.Cl
InChIInChI=1S/C12H23ClN2O.ClH/c1-14-8-10-15(11-9-14)7-5-3-2-4-6-12(13)16;/h2-11H2,1H3;1H
InChIKeyILDCYJRBFUYQTP-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride 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

4-(4-acetylpiperazin-1-yl)butanoyl chloride
CID 39255372
1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
CID 18413139
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
6-(aziridin-1-yl)hexanoic acid
CID 141385441
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
7-(4-methylpiperazin-1-yl)heptane-1-thiol
CID 144712055
1-(9-bromononyl)-4-methylpiperazine
CID 105343553
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
6-(4-methylpiperazin-1-yl)hexanal
CID 19781527
N-methylidene-4-(4-methylpiperazin-1-yl)butanamide
CID 138481646
4-(4-methyl-1,4-diazepan-1-yl)butanamide
CID 175411586

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride?
The IUPAC name of 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride (CID 87608449) is 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride is CN1CCN(CCCCCCC(=O)Cl)CC1.Cl.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride?
The InChIKey is ILDCYJRBFUYQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O.ClH/c1-14-8-10-15(11-9-14)7-5-3-2-4-6-12(13)16;/h2-11H2,1H3;1H.
What are the key properties of 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride?
7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride has a molecular weight of 283.24 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride is sourced from PubChem (CID 87608449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).