4-methyl-3-propoxypiperidine

C9H19NO — CID 102954262

IUPAC4-methyl-3-propoxypiperidine
SMILESCCCOC1CNCCC1C
InChIInChI=1S/C9H19NO/c1-3-6-11-9-7-10-5-4-8(9)2/h8-10H,3-7H2,1-2H3
InChIKeyHBQGFGODGGATRW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds3

About 4-methyl-3-propoxypiperidine

4-methyl-3-propoxypiperidine (PubChem CID 102954262) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methyl-3-propoxypiperidine.

Molecular Properties

Compound Name4-methyl-3-propoxypiperidine
PubChem CID102954262
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methyl-3-propoxypiperidine
SMILESCCCOC1CNCCC1C
InChIInChI=1S/C9H19NO/c1-3-6-11-9-7-10-5-4-8(9)2/h8-10H,3-7H2,1-2H3
InChIKeyHBQGFGODGGATRW-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-propoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propoxypiperidine?
The IUPAC name of 4-methyl-3-propoxypiperidine (CID 102954262) is 4-methyl-3-propoxypiperidine.
What is the SMILES notation for 4-methyl-3-propoxypiperidine?
The canonical SMILES for 4-methyl-3-propoxypiperidine is CCCOC1CNCCC1C.
What is the InChIKey of 4-methyl-3-propoxypiperidine?
The InChIKey is HBQGFGODGGATRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-6-11-9-7-10-5-4-8(9)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-methyl-3-propoxypiperidine?
4-methyl-3-propoxypiperidine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propoxypiperidine is sourced from PubChem (CID 102954262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).