1-butyl-2-ethoxy-2-propoxypiperidine

C14H29NO2 — CID 69498111

IUPAC1-butyl-2-ethoxy-2-propoxypiperidine
SMILESCCCCN1CCCCC1(OCC)OCCC
InChIInChI=1S/C14H29NO2/c1-4-7-11-15-12-9-8-10-14(15,16-6-3)17-13-5-2/h4-13H2,1-3H3
InChIKeyLCICGQATHINRAB-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.39
Rot. Bonds8

About 1-butyl-2-ethoxy-2-propoxypiperidine

1-butyl-2-ethoxy-2-propoxypiperidine (PubChem CID 69498111) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-butyl-2-ethoxy-2-propoxypiperidine.

Molecular Properties

Compound Name1-butyl-2-ethoxy-2-propoxypiperidine
PubChem CID69498111
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-butyl-2-ethoxy-2-propoxypiperidine
SMILESCCCCN1CCCCC1(OCC)OCCC
InChIInChI=1S/C14H29NO2/c1-4-7-11-15-12-9-8-10-14(15,16-6-3)17-13-5-2/h4-13H2,1-3H3
InChIKeyLCICGQATHINRAB-UHFFFAOYSA-N
XLogP3.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-butyl-2-ethoxy-2-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-butyl-2-ethoxy-2-propoxypiperidine?
The IUPAC name of 1-butyl-2-ethoxy-2-propoxypiperidine (CID 69498111) is 1-butyl-2-ethoxy-2-propoxypiperidine.
What is the SMILES notation for 1-butyl-2-ethoxy-2-propoxypiperidine?
The canonical SMILES for 1-butyl-2-ethoxy-2-propoxypiperidine is CCCCN1CCCCC1(OCC)OCCC.
What is the InChIKey of 1-butyl-2-ethoxy-2-propoxypiperidine?
The InChIKey is LCICGQATHINRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-7-11-15-12-9-8-10-14(15,16-6-3)17-13-5-2/h4-13H2,1-3H3.
What are the key properties of 1-butyl-2-ethoxy-2-propoxypiperidine?
1-butyl-2-ethoxy-2-propoxypiperidine has a molecular weight of 243.39 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethoxy-2-propoxypiperidine is sourced from PubChem (CID 69498111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).