5-piperazin-1-ylpentan-1-amine;hydrochloride

C9H22ClN3 — CID 86346240

IUPAC5-piperazin-1-ylpentan-1-amine;hydrochloride
SMILESCl.NCCCCCN1CCNCC1
InChIInChI=1S/C9H21N3.ClH/c10-4-2-1-3-7-12-8-5-11-6-9-12;/h11H,1-10H2;1H
InChIKeyDIKUEPQROKJMKJ-UHFFFAOYSA-N
MW207.75 g/mol
LogP0.44
Rot. Bonds5

About 5-piperazin-1-ylpentan-1-amine;hydrochloride

5-piperazin-1-ylpentan-1-amine;hydrochloride (PubChem CID 86346240) has the molecular formula C9H22ClN3 and a molecular weight of 207.75 g/mol. Its IUPAC name is 5-piperazin-1-ylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-piperazin-1-ylpentan-1-amine;hydrochloride
PubChem CID86346240
Molecular FormulaC9H22ClN3
Molecular Weight207.75 g/mol
Exact Mass207.15
IUPAC Name5-piperazin-1-ylpentan-1-amine;hydrochloride
SMILESCl.NCCCCCN1CCNCC1
InChIInChI=1S/C9H21N3.ClH/c10-4-2-1-3-7-12-8-5-11-6-9-12;/h11H,1-10H2;1H
InChIKeyDIKUEPQROKJMKJ-UHFFFAOYSA-N
XLogP0.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.75
LogP ≤ 50.44
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

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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
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6-(azetidin-1-yl)hexan-1-amine
CID 18952651
1-tricosylpiperazine
CID 130183651
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
ethane;1-octylpiperazine
CID 144711845
1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylpentan-1-amine;hydrochloride?
The IUPAC name of 5-piperazin-1-ylpentan-1-amine;hydrochloride (CID 86346240) is 5-piperazin-1-ylpentan-1-amine;hydrochloride.
What is the SMILES notation for 5-piperazin-1-ylpentan-1-amine;hydrochloride?
The canonical SMILES for 5-piperazin-1-ylpentan-1-amine;hydrochloride is Cl.NCCCCCN1CCNCC1.
What is the InChIKey of 5-piperazin-1-ylpentan-1-amine;hydrochloride?
The InChIKey is DIKUEPQROKJMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.ClH/c10-4-2-1-3-7-12-8-5-11-6-9-12;/h11H,1-10H2;1H.
What are the key properties of 5-piperazin-1-ylpentan-1-amine;hydrochloride?
5-piperazin-1-ylpentan-1-amine;hydrochloride has a molecular weight of 207.75 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylpentan-1-amine;hydrochloride is sourced from PubChem (CID 86346240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).