3-[methyl(piperidin-4-yl)amino]propanal

C9H18N2O — CID 63041302

IUPAC3-[methyl(piperidin-4-yl)amino]propanal
SMILESCN(CCC=O)C1CCNCC1
InChIInChI=1S/C9H18N2O/c1-11(7-2-8-12)9-3-5-10-6-4-9/h8-10H,2-7H2,1H3
InChIKeySSGTYOVARLGYGZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.26
Rot. Bonds4

About 3-[methyl(piperidin-4-yl)amino]propanal

3-[methyl(piperidin-4-yl)amino]propanal (PubChem CID 63041302) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-[methyl(piperidin-4-yl)amino]propanal.

Molecular Properties

Compound Name3-[methyl(piperidin-4-yl)amino]propanal
PubChem CID63041302
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-[methyl(piperidin-4-yl)amino]propanal
SMILESCN(CCC=O)C1CCNCC1
InChIInChI=1S/C9H18N2O/c1-11(7-2-8-12)9-3-5-10-6-4-9/h8-10H,2-7H2,1H3
InChIKeySSGTYOVARLGYGZ-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
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-[methyl(piperidin-4-yl)amino]propanal?
The IUPAC name of 3-[methyl(piperidin-4-yl)amino]propanal (CID 63041302) is 3-[methyl(piperidin-4-yl)amino]propanal.
What is the SMILES notation for 3-[methyl(piperidin-4-yl)amino]propanal?
The canonical SMILES for 3-[methyl(piperidin-4-yl)amino]propanal is CN(CCC=O)C1CCNCC1.
What is the InChIKey of 3-[methyl(piperidin-4-yl)amino]propanal?
The InChIKey is SSGTYOVARLGYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(7-2-8-12)9-3-5-10-6-4-9/h8-10H,2-7H2,1H3.
What are the key properties of 3-[methyl(piperidin-4-yl)amino]propanal?
3-[methyl(piperidin-4-yl)amino]propanal has a molecular weight of 170.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(piperidin-4-yl)amino]propanal is sourced from PubChem (CID 63041302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).