1-(3-methoxypropyl)-3-methylidenepiperidine

C10H19NO — CID 59324995

IUPAC1-(3-methoxypropyl)-3-methylidenepiperidine
SMILESC=C1CCCN(CCCOC)C1
InChIInChI=1S/C10H19NO/c1-10-5-3-6-11(9-10)7-4-8-12-2/h1,3-9H2,2H3
InChIKeyCQVCKPQPCICGDL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds4

About 1-(3-methoxypropyl)-3-methylidenepiperidine

1-(3-methoxypropyl)-3-methylidenepiperidine (PubChem CID 59324995) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-methylidenepiperidine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-methylidenepiperidine
PubChem CID59324995
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3-methoxypropyl)-3-methylidenepiperidine
SMILESC=C1CCCN(CCCOC)C1
InChIInChI=1S/C10H19NO/c1-10-5-3-6-11(9-10)7-4-8-12-2/h1,3-9H2,2H3
InChIKeyCQVCKPQPCICGDL-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-methylidenepiperidine?
The IUPAC name of 1-(3-methoxypropyl)-3-methylidenepiperidine (CID 59324995) is 1-(3-methoxypropyl)-3-methylidenepiperidine.
What is the SMILES notation for 1-(3-methoxypropyl)-3-methylidenepiperidine?
The canonical SMILES for 1-(3-methoxypropyl)-3-methylidenepiperidine is C=C1CCCN(CCCOC)C1.
What is the InChIKey of 1-(3-methoxypropyl)-3-methylidenepiperidine?
The InChIKey is CQVCKPQPCICGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10-5-3-6-11(9-10)7-4-8-12-2/h1,3-9H2,2H3.
What are the key properties of 1-(3-methoxypropyl)-3-methylidenepiperidine?
1-(3-methoxypropyl)-3-methylidenepiperidine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-methylidenepiperidine is sourced from PubChem (CID 59324995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).