(E)-5-piperazin-1-ylpent-3-enal

C9H16N2O — CID 115013452

IUPAC(E)-5-piperazin-1-ylpent-3-enal
SMILESO=CC/C=C/CN1CCNCC1
InChIInChI=1S/C9H16N2O/c12-9-3-1-2-6-11-7-4-10-5-8-11/h1-2,9-10H,3-8H2/b2-1+
InChIKeyZQGBLTSMXUINDJ-OWOJBTEDSA-N
MW168.24 g/mol
LogP0.04
Rot. Bonds4

About (E)-5-piperazin-1-ylpent-3-enal

(E)-5-piperazin-1-ylpent-3-enal (PubChem CID 115013452) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-5-piperazin-1-ylpent-3-enal.

Molecular Properties

Compound Name(E)-5-piperazin-1-ylpent-3-enal
PubChem CID115013452
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(E)-5-piperazin-1-ylpent-3-enal
SMILESO=CC/C=C/CN1CCNCC1
InChIInChI=1S/C9H16N2O/c12-9-3-1-2-6-11-7-4-10-5-8-11/h1-2,9-10H,3-8H2/b2-1+
InChIKeyZQGBLTSMXUINDJ-OWOJBTEDSA-N
XLogP0.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperazin-1-ylacetaldehyde;hydrochloride
CID 129057449
molecular iodine;2-piperazin-1-ylacetaldehyde
CID 159058058
(E)-5-morpholin-4-ylpent-3-enal
CID 115013576
1-penta-2,4-dienylpiperazine
CID 54045555
(E)-4-(1,4-diazepan-1-yl)but-2-enoic acid
CID 62343930
3-[(Z)-4-piperazin-1-ylbut-2-enyl]thiolane 1,1-dioxide
CID 117269273
2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol
CID 14070346
2-(1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl)acetaldehyde
CID 165084885
2-ethyl-4-piperazin-1-ylbut-2-enoic acid
CID 77102205
1-[(Z)-3-methoxybut-2-enyl]piperazine
CID 166729699
3-[4-(piperazin-1-ylmethyl)phenyl]propanal
CID 117336777
1-[(E)-5-methyl-4-methylidenehex-2-enyl]piperazine
CID 166698613

Frequently Asked Questions

What is the IUPAC name of (E)-5-piperazin-1-ylpent-3-enal?
The IUPAC name of (E)-5-piperazin-1-ylpent-3-enal (CID 115013452) is (E)-5-piperazin-1-ylpent-3-enal.
What is the SMILES notation for (E)-5-piperazin-1-ylpent-3-enal?
The canonical SMILES for (E)-5-piperazin-1-ylpent-3-enal is O=CC/C=C/CN1CCNCC1.
What is the InChIKey of (E)-5-piperazin-1-ylpent-3-enal?
The InChIKey is ZQGBLTSMXUINDJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9-3-1-2-6-11-7-4-10-5-8-11/h1-2,9-10H,3-8H2/b2-1+.
What are the key properties of (E)-5-piperazin-1-ylpent-3-enal?
(E)-5-piperazin-1-ylpent-3-enal has a molecular weight of 168.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-piperazin-1-ylpent-3-enal is sourced from PubChem (CID 115013452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).