3-(1,2,6-trimethylpiperidin-4-yl)propanal

C11H21NO — CID 83906805

IUPAC3-(1,2,6-trimethylpiperidin-4-yl)propanal
SMILESCC1CC(CCC=O)CC(C)N1C
InChIInChI=1S/C11H21NO/c1-9-7-11(5-4-6-13)8-10(2)12(9)3/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyZOXCIRUXLNDPFN-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.08
Rot. Bonds3

About 3-(1,2,6-trimethylpiperidin-4-yl)propanal

3-(1,2,6-trimethylpiperidin-4-yl)propanal (PubChem CID 83906805) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(1,2,6-trimethylpiperidin-4-yl)propanal.

Molecular Properties

Compound Name3-(1,2,6-trimethylpiperidin-4-yl)propanal
PubChem CID83906805
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(1,2,6-trimethylpiperidin-4-yl)propanal
SMILESCC1CC(CCC=O)CC(C)N1C
InChIInChI=1S/C11H21NO/c1-9-7-11(5-4-6-13)8-10(2)12(9)3/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyZOXCIRUXLNDPFN-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.08
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-(1,2,6-trimethylpiperidin-4-yl)propanal?
The IUPAC name of 3-(1,2,6-trimethylpiperidin-4-yl)propanal (CID 83906805) is 3-(1,2,6-trimethylpiperidin-4-yl)propanal.
What is the SMILES notation for 3-(1,2,6-trimethylpiperidin-4-yl)propanal?
The canonical SMILES for 3-(1,2,6-trimethylpiperidin-4-yl)propanal is CC1CC(CCC=O)CC(C)N1C.
What is the InChIKey of 3-(1,2,6-trimethylpiperidin-4-yl)propanal?
The InChIKey is ZOXCIRUXLNDPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-7-11(5-4-6-13)8-10(2)12(9)3/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of 3-(1,2,6-trimethylpiperidin-4-yl)propanal?
3-(1,2,6-trimethylpiperidin-4-yl)propanal has a molecular weight of 183.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,6-trimethylpiperidin-4-yl)propanal is sourced from PubChem (CID 83906805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).