4-piperazin-1-ylbutan-1-amine;dihydrochloride

C8H21Cl2N3 — CID 139993876

IUPAC4-piperazin-1-ylbutan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCCN1CCNCC1
InChIInChI=1S/C8H19N3.2ClH/c9-3-1-2-6-11-7-4-10-5-8-11;;/h10H,1-9H2;2*1H
InChIKeyLWTPATQZVKNTLG-UHFFFAOYSA-N
MW230.18 g/mol
LogP0.47
Rot. Bonds4

About 4-piperazin-1-ylbutan-1-amine;dihydrochloride

4-piperazin-1-ylbutan-1-amine;dihydrochloride (PubChem CID 139993876) has the molecular formula C8H21Cl2N3 and a molecular weight of 230.18 g/mol. Its IUPAC name is 4-piperazin-1-ylbutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-piperazin-1-ylbutan-1-amine;dihydrochloride
PubChem CID139993876
Molecular FormulaC8H21Cl2N3
Molecular Weight230.18 g/mol
Exact Mass229.11
IUPAC Name4-piperazin-1-ylbutan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCCN1CCNCC1
InChIInChI=1S/C8H19N3.2ClH/c9-3-1-2-6-11-7-4-10-5-8-11;;/h10H,1-9H2;2*1H
InChIKeyLWTPATQZVKNTLG-UHFFFAOYSA-N
XLogP0.47
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-piperazin-1-ylpentan-1-amine;hydrochloride
CID 86346240
4-(1,4-diazepan-1-yl)butan-1-amine
CID 64981149
3-(1,4,8-triazacycloundec-1-yl)propan-1-amine
CID 142128574
N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
CID 175297988
methane;2-piperazin-1-ylethanamine
CID 160655027
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
N'-[4-(1,5,9-triazacyclododec-1-yl)butyl]butane-1,4-diamine
CID 166625566
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
1-tricosylpiperazine
CID 130183651

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylbutan-1-amine;dihydrochloride?
The IUPAC name of 4-piperazin-1-ylbutan-1-amine;dihydrochloride (CID 139993876) is 4-piperazin-1-ylbutan-1-amine;dihydrochloride.
What is the SMILES notation for 4-piperazin-1-ylbutan-1-amine;dihydrochloride?
The canonical SMILES for 4-piperazin-1-ylbutan-1-amine;dihydrochloride is Cl.Cl.NCCCCN1CCNCC1.
What is the InChIKey of 4-piperazin-1-ylbutan-1-amine;dihydrochloride?
The InChIKey is LWTPATQZVKNTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.2ClH/c9-3-1-2-6-11-7-4-10-5-8-11;;/h10H,1-9H2;2*1H.
What are the key properties of 4-piperazin-1-ylbutan-1-amine;dihydrochloride?
4-piperazin-1-ylbutan-1-amine;dihydrochloride has a molecular weight of 230.18 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylbutan-1-amine;dihydrochloride is sourced from PubChem (CID 139993876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).