3-(propoxymethyl)piperidine

C9H19NO — CID 54135236

IUPAC3-(propoxymethyl)piperidine
SMILESCCCOCC1CCCNC1
InChIInChI=1S/C9H19NO/c1-2-6-11-8-9-4-3-5-10-7-9/h9-10H,2-8H2,1H3
InChIKeyZKYVVIVOQLZOKY-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds4

About 3-(propoxymethyl)piperidine

3-(propoxymethyl)piperidine (PubChem CID 54135236) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(propoxymethyl)piperidine.

Molecular Properties

Compound Name3-(propoxymethyl)piperidine
PubChem CID54135236
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(propoxymethyl)piperidine
SMILESCCCOCC1CCCNC1
InChIInChI=1S/C9H19NO/c1-2-6-11-8-9-4-3-5-10-7-9/h9-10H,2-8H2,1H3
InChIKeyZKYVVIVOQLZOKY-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(propoxymethyl)piperidine?
The IUPAC name of 3-(propoxymethyl)piperidine (CID 54135236) is 3-(propoxymethyl)piperidine.
What is the SMILES notation for 3-(propoxymethyl)piperidine?
The canonical SMILES for 3-(propoxymethyl)piperidine is CCCOCC1CCCNC1.
What is the InChIKey of 3-(propoxymethyl)piperidine?
The InChIKey is ZKYVVIVOQLZOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-6-11-8-9-4-3-5-10-7-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(propoxymethyl)piperidine?
3-(propoxymethyl)piperidine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propoxymethyl)piperidine is sourced from PubChem (CID 54135236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).