3-(3,5-dimethylpiperidin-1-yl)propanal

C10H19NO — CID 63039770

IUPAC3-(3,5-dimethylpiperidin-1-yl)propanal
SMILESCC1CC(C)CN(CCC=O)C1
InChIInChI=1S/C10H19NO/c1-9-6-10(2)8-11(7-9)4-3-5-12/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyALLJVMMACNITOM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds3

About 3-(3,5-dimethylpiperidin-1-yl)propanal

3-(3,5-dimethylpiperidin-1-yl)propanal (PubChem CID 63039770) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)propanal.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)propanal
PubChem CID63039770
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)propanal
SMILESCC1CC(C)CN(CCC=O)C1
InChIInChI=1S/C10H19NO/c1-9-6-10(2)8-11(7-9)4-3-5-12/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyALLJVMMACNITOM-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3,5-dimethylpiperidin-1-yl)propanal?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)propanal (CID 63039770) is 3-(3,5-dimethylpiperidin-1-yl)propanal.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)propanal?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)propanal is CC1CC(C)CN(CCC=O)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)propanal?
The InChIKey is ALLJVMMACNITOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9-6-10(2)8-11(7-9)4-3-5-12/h5,9-10H,3-4,6-8H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)propanal?
3-(3,5-dimethylpiperidin-1-yl)propanal has a molecular weight of 169.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)propanal is sourced from PubChem (CID 63039770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).