3-propylidenepiperidine

C8H15N — CID 66869836

IUPAC3-propylidenepiperidine
SMILESCCC=C1CCCNC1
InChIInChI=1S/C8H15N/c1-2-4-8-5-3-6-9-7-8/h4,9H,2-3,5-7H2,1H3
InChIKeyFNGVDWCZGSGMIL-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.71
Rot. Bonds1

About 3-propylidenepiperidine

3-propylidenepiperidine (PubChem CID 66869836) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-propylidenepiperidine.

Molecular Properties

Compound Name3-propylidenepiperidine
PubChem CID66869836
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-propylidenepiperidine
SMILESCCC=C1CCCNC1
InChIInChI=1S/C8H15N/c1-2-4-8-5-3-6-9-7-8/h4,9H,2-3,5-7H2,1H3
InChIKeyFNGVDWCZGSGMIL-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-propylidenepiperidine?
The IUPAC name of 3-propylidenepiperidine (CID 66869836) is 3-propylidenepiperidine.
What is the SMILES notation for 3-propylidenepiperidine?
The canonical SMILES for 3-propylidenepiperidine is CCC=C1CCCNC1.
What is the InChIKey of 3-propylidenepiperidine?
The InChIKey is FNGVDWCZGSGMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-4-8-5-3-6-9-7-8/h4,9H,2-3,5-7H2,1H3.
What are the key properties of 3-propylidenepiperidine?
3-propylidenepiperidine has a molecular weight of 125.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylidenepiperidine is sourced from PubChem (CID 66869836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).