4-(3-methoxypropoxy)piperidine

C9H19NO2 — CID 20506404

IUPAC4-(3-methoxypropoxy)piperidine
SMILESCOCCCOC1CCNCC1
InChIInChI=1S/C9H19NO2/c1-11-7-2-8-12-9-3-5-10-6-4-9/h9-10H,2-8H2,1H3
InChIKeyITYSLFBEYUSSLQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds5

About 4-(3-methoxypropoxy)piperidine

4-(3-methoxypropoxy)piperidine (PubChem CID 20506404) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)piperidine.

Molecular Properties

Compound Name4-(3-methoxypropoxy)piperidine
PubChem CID20506404
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(3-methoxypropoxy)piperidine
SMILESCOCCCOC1CCNCC1
InChIInChI=1S/C9H19NO2/c1-11-7-2-8-12-9-3-5-10-6-4-9/h9-10H,2-8H2,1H3
InChIKeyITYSLFBEYUSSLQ-UHFFFAOYSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(3-methoxypropoxy)piperidine?
The IUPAC name of 4-(3-methoxypropoxy)piperidine (CID 20506404) is 4-(3-methoxypropoxy)piperidine.
What is the SMILES notation for 4-(3-methoxypropoxy)piperidine?
The canonical SMILES for 4-(3-methoxypropoxy)piperidine is COCCCOC1CCNCC1.
What is the InChIKey of 4-(3-methoxypropoxy)piperidine?
The InChIKey is ITYSLFBEYUSSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-7-2-8-12-9-3-5-10-6-4-9/h9-10H,2-8H2,1H3.
What are the key properties of 4-(3-methoxypropoxy)piperidine?
4-(3-methoxypropoxy)piperidine has a molecular weight of 173.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)piperidine is sourced from PubChem (CID 20506404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).