2-piperazin-1-ylacetaldehyde;hydrochloride

C6H13ClN2O — CID 129057449

IUPAC2-piperazin-1-ylacetaldehyde;hydrochloride
SMILESCl.O=CCN1CCNCC1
InChIInChI=1S/C6H12N2O.ClH/c9-6-5-8-3-1-7-2-4-8;/h6-7H,1-5H2;1H
InChIKeySQKOVLBTKSJJBD-UHFFFAOYSA-N
MW164.64 g/mol
LogP-0.49
Rot. Bonds2

About 2-piperazin-1-ylacetaldehyde;hydrochloride

2-piperazin-1-ylacetaldehyde;hydrochloride (PubChem CID 129057449) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 2-piperazin-1-ylacetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylacetaldehyde;hydrochloride
PubChem CID129057449
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name2-piperazin-1-ylacetaldehyde;hydrochloride
SMILESCl.O=CCN1CCNCC1
InChIInChI=1S/C6H12N2O.ClH/c9-6-5-8-3-1-7-2-4-8;/h6-7H,1-5H2;1H
InChIKeySQKOVLBTKSJJBD-UHFFFAOYSA-N
XLogP-0.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

molecular iodine;2-piperazin-1-ylacetaldehyde
CID 159058058
2-[4,7-bis(2-oxoethyl)-1,4,7-triazonan-1-yl]acetaldehyde
CID 20775518
(E)-5-piperazin-1-ylpent-3-enal
CID 115013452
2-(1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl)acetaldehyde
CID 165084885
N-tert-butyl-2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 155476712
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
1-penta-2,4-dienylpiperazine
CID 54045555
3-imidazolidin-1-ylpropanal
CID 56999085
3-[4-(2-oxoethyl)piperazin-1-yl]propanal
CID 171115042
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
2-ethyl-4-piperazin-1-ylbut-2-enoic acid
CID 77102205

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylacetaldehyde;hydrochloride?
The IUPAC name of 2-piperazin-1-ylacetaldehyde;hydrochloride (CID 129057449) is 2-piperazin-1-ylacetaldehyde;hydrochloride.
What is the SMILES notation for 2-piperazin-1-ylacetaldehyde;hydrochloride?
The canonical SMILES for 2-piperazin-1-ylacetaldehyde;hydrochloride is Cl.O=CCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylacetaldehyde;hydrochloride?
The InChIKey is SQKOVLBTKSJJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c9-6-5-8-3-1-7-2-4-8;/h6-7H,1-5H2;1H.
What are the key properties of 2-piperazin-1-ylacetaldehyde;hydrochloride?
2-piperazin-1-ylacetaldehyde;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylacetaldehyde;hydrochloride is sourced from PubChem (CID 129057449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).