4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride

C9H22ClN3 — CID 174573387

IUPAC4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
SMILESCN1CCN(CCCCN)CC1.Cl
InChIInChI=1S/C9H21N3.ClH/c1-11-6-8-12(9-7-11)5-3-2-4-10;/h2-10H2,1H3;1H
InChIKeyIHSYSTDBWJQALB-UHFFFAOYSA-N
MW207.75 g/mol
LogP0.39
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride

4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride (PubChem CID 174573387) has the molecular formula C9H22ClN3 and a molecular weight of 207.75 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
PubChem CID174573387
Molecular FormulaC9H22ClN3
Molecular Weight207.75 g/mol
Exact Mass207.15
IUPAC Name4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
SMILESCN1CCN(CCCCN)CC1.Cl
InChIInChI=1S/C9H21N3.ClH/c1-11-6-8-12(9-7-11)5-3-2-4-10;/h2-10H2,1H3;1H
InChIKeyIHSYSTDBWJQALB-UHFFFAOYSA-N
XLogP0.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.75
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane
CID 145081546
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
CID 18413139
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
CID 83155485
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine
CID 63190695
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride?
The IUPAC name of 4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride (CID 174573387) is 4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride is CN1CCN(CCCCN)CC1.Cl.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride?
The InChIKey is IHSYSTDBWJQALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.ClH/c1-11-6-8-12(9-7-11)5-3-2-4-10;/h2-10H2,1H3;1H.
What are the key properties of 4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride?
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride has a molecular weight of 207.75 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride is sourced from PubChem (CID 174573387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).