piperazine;piperazine-1-carbaldehyde

C9H20N4O — CID 159765435

IUPACpiperazine;piperazine-1-carbaldehyde
SMILESC1CNCCN1.O=CN1CCNCC1
InChIInChI=1S/C5H10N2O.C4H10N2/c8-5-7-3-1-6-2-4-7;1-2-6-4-3-5-1/h5-6H,1-4H2;5-6H,1-4H2
InChIKeyNFKZIVNATBAUCE-UHFFFAOYSA-N
MW200.29 g/mol
LogP-1.77
Rot. Bonds1

About piperazine;piperazine-1-carbaldehyde

piperazine;piperazine-1-carbaldehyde (PubChem CID 159765435) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is piperazine;piperazine-1-carbaldehyde.

Molecular Properties

Compound Namepiperazine;piperazine-1-carbaldehyde
PubChem CID159765435
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Namepiperazine;piperazine-1-carbaldehyde
SMILESC1CNCCN1.O=CN1CCNCC1
InChIInChI=1S/C5H10N2O.C4H10N2/c8-5-7-3-1-6-2-4-7;1-2-6-4-3-5-1/h5-6H,1-4H2;5-6H,1-4H2
InChIKeyNFKZIVNATBAUCE-UHFFFAOYSA-N
XLogP-1.77
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Piperazinecarboxaldehyde
CID 82191
1,4,7,10-Tetraazacyclododecane-1-carboxaldehyde
CID 21915993
1-(Piperazine-1-carbonyl)piperazine
CID 13750372
N-(2-(4-methylpiperazin-1-yl)ethyl)formamide
CID 18695595
Piperazine-1-carboxylate;piperazin-1-ium
CID 139202384
N-(2-piperazin-1-ylethyl)formamide
CID 17781548
N-[2-(4-Formylpiperazin-1-YL)ethyl]formamide
CID 20337132
Piperazin-4-ium-1-carbaldehyde
CID 3467521
1,3-Bis(2-piperazin-1-ylethyl)urea
CID 13651687
Piperazine;1-piperazin-1-ylethanone
CID 21419671
4-(4-Formylpiperazin-2-yl)piperazine-1-carbonitrile
CID 53703767
Piperazine-1-carbonyl piperazine-1-carboxylate
CID 53763722

Frequently Asked Questions

What is the IUPAC name of piperazine;piperazine-1-carbaldehyde?
The IUPAC name of piperazine;piperazine-1-carbaldehyde (CID 159765435) is piperazine;piperazine-1-carbaldehyde.
What is the SMILES notation for piperazine;piperazine-1-carbaldehyde?
The canonical SMILES for piperazine;piperazine-1-carbaldehyde is C1CNCCN1.O=CN1CCNCC1.
What is the InChIKey of piperazine;piperazine-1-carbaldehyde?
The InChIKey is NFKZIVNATBAUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C4H10N2/c8-5-7-3-1-6-2-4-7;1-2-6-4-3-5-1/h5-6H,1-4H2;5-6H,1-4H2.
What are the key properties of piperazine;piperazine-1-carbaldehyde?
piperazine;piperazine-1-carbaldehyde has a molecular weight of 200.29 g/mol, XLogP of -1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;piperazine-1-carbaldehyde is sourced from PubChem (CID 159765435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).