3-(4-methylpiperazin-1-yl)propanal

C8H16N2O — CID 54233492

IUPAC3-(4-methylpiperazin-1-yl)propanal
SMILESCN1CCN(CCC=O)CC1
InChIInChI=1S/C8H16N2O/c1-9-4-6-10(7-5-9)3-2-8-11/h8H,2-7H2,1H3
InChIKeyUGPFLPVWZHOEHO-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.18
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)propanal

3-(4-methylpiperazin-1-yl)propanal (PubChem CID 54233492) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propanal.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propanal
PubChem CID54233492
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(4-methylpiperazin-1-yl)propanal
SMILESCN1CCN(CCC=O)CC1
InChIInChI=1S/C8H16N2O/c1-9-4-6-10(7-5-9)3-2-8-11/h8H,2-7H2,1H3
InChIKeyUGPFLPVWZHOEHO-UHFFFAOYSA-N
XLogP-0.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)propanal?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propanal (CID 54233492) is 3-(4-methylpiperazin-1-yl)propanal.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propanal?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propanal is CN1CCN(CCC=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propanal?
The InChIKey is UGPFLPVWZHOEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-9-4-6-10(7-5-9)3-2-8-11/h8H,2-7H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)propanal?
3-(4-methylpiperazin-1-yl)propanal has a molecular weight of 156.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propanal is sourced from PubChem (CID 54233492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).