3-but-3-enyl-4-methoxypiperidine

C10H19NO — CID 175499377

IUPAC3-but-3-enyl-4-methoxypiperidine
SMILESC=CCCC1CNCCC1OC
InChIInChI=1S/C10H19NO/c1-3-4-5-9-8-11-7-6-10(9)12-2/h3,9-11H,1,4-8H2,2H3
InChIKeyHHRFCUUTSAZGPF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About 3-but-3-enyl-4-methoxypiperidine

3-but-3-enyl-4-methoxypiperidine (PubChem CID 175499377) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-but-3-enyl-4-methoxypiperidine.

Molecular Properties

Compound Name3-but-3-enyl-4-methoxypiperidine
PubChem CID175499377
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-but-3-enyl-4-methoxypiperidine
SMILESC=CCCC1CNCCC1OC
InChIInChI=1S/C10H19NO/c1-3-4-5-9-8-11-7-6-10(9)12-2/h3,9-11H,1,4-8H2,2H3
InChIKeyHHRFCUUTSAZGPF-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-4-methoxypiperidine?
The IUPAC name of 3-but-3-enyl-4-methoxypiperidine (CID 175499377) is 3-but-3-enyl-4-methoxypiperidine.
What is the SMILES notation for 3-but-3-enyl-4-methoxypiperidine?
The canonical SMILES for 3-but-3-enyl-4-methoxypiperidine is C=CCCC1CNCCC1OC.
What is the InChIKey of 3-but-3-enyl-4-methoxypiperidine?
The InChIKey is HHRFCUUTSAZGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-9-8-11-7-6-10(9)12-2/h3,9-11H,1,4-8H2,2H3.
What are the key properties of 3-but-3-enyl-4-methoxypiperidine?
3-but-3-enyl-4-methoxypiperidine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-4-methoxypiperidine is sourced from PubChem (CID 175499377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).