1-methyl-4-propoxypiperidine

C9H19NO — CID 18722999

IUPAC1-methyl-4-propoxypiperidine
SMILESCCCOC1CCN(C)CC1
InChIInChI=1S/C9H19NO/c1-3-8-11-9-4-6-10(2)7-5-9/h9H,3-8H2,1-2H3
InChIKeyIJJDIGNGIKKUDQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds3

About 1-methyl-4-propoxypiperidine

1-methyl-4-propoxypiperidine (PubChem CID 18722999) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-methyl-4-propoxypiperidine.

Molecular Properties

Compound Name1-methyl-4-propoxypiperidine
PubChem CID18722999
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-methyl-4-propoxypiperidine
SMILESCCCOC1CCN(C)CC1
InChIInChI=1S/C9H19NO/c1-3-8-11-9-4-6-10(2)7-5-9/h9H,3-8H2,1-2H3
InChIKeyIJJDIGNGIKKUDQ-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-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 1-methyl-4-propoxypiperidine?
The IUPAC name of 1-methyl-4-propoxypiperidine (CID 18722999) is 1-methyl-4-propoxypiperidine.
What is the SMILES notation for 1-methyl-4-propoxypiperidine?
The canonical SMILES for 1-methyl-4-propoxypiperidine is CCCOC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-propoxypiperidine?
The InChIKey is IJJDIGNGIKKUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-8-11-9-4-6-10(2)7-5-9/h9H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-propoxypiperidine?
1-methyl-4-propoxypiperidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propoxypiperidine is sourced from PubChem (CID 18722999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).