1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride

C9H21Cl3N2 — CID 18413139

IUPAC1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
SMILESCN1CCN(CCCCCl)CC1.Cl.Cl
InChIInChI=1S/C9H19ClN2.2ClH/c1-11-6-8-12(9-7-11)5-3-2-4-10;;/h2-9H2,1H3;2*1H
InChIKeyUGSJQOSCYHZKPP-UHFFFAOYSA-N
MW263.64 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride

1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride (PubChem CID 18413139) has the molecular formula C9H21Cl3N2 and a molecular weight of 263.64 g/mol. Its IUPAC name is 1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
PubChem CID18413139
Molecular FormulaC9H21Cl3N2
Molecular Weight263.64 g/mol
Exact Mass262.08
IUPAC Name1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
SMILESCN1CCN(CCCCCl)CC1.Cl.Cl
InChIInChI=1S/C9H19ClN2.2ClH/c1-11-6-8-12(9-7-11)5-3-2-4-10;;/h2-9H2,1H3;2*1H
InChIKeyUGSJQOSCYHZKPP-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride 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-(5-chloropentyl)-4-pentylpiperazine
CID 67898434
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-(4-chlorobutyl)azepane
CID 22568254
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760
1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride
CID 3042591
ethane;1-methyl-4-pentylpiperazine
CID 145099418
7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
CID 87608449
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
7-(4-methylpiperazin-1-yl)heptane-1-thiol
CID 144712055
1-(9-bromononyl)-4-methylpiperazine
CID 105343553

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride?
The IUPAC name of 1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride (CID 18413139) is 1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride.
What is the SMILES notation for 1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride?
The canonical SMILES for 1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride is CN1CCN(CCCCCl)CC1.Cl.Cl.
What is the InChIKey of 1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride?
The InChIKey is UGSJQOSCYHZKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2.2ClH/c1-11-6-8-12(9-7-11)5-3-2-4-10;;/h2-9H2,1H3;2*1H.
What are the key properties of 1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride?
1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride has a molecular weight of 263.64 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-chlorobutyl)-4-methylpiperazine;dihydrochloride is sourced from PubChem (CID 18413139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).