4-prop-2-enylpiperidine

C8H15N — CID 18407603

IUPAC4-prop-2-enylpiperidine
SMILESC=CCC1CCNCC1
InChIInChI=1S/C8H15N/c1-2-3-8-4-6-9-7-5-8/h2,8-9H,1,3-7H2
InChIKeyVHEJLNYZSZWLBB-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.56
Rot. Bonds2

About 4-prop-2-enylpiperidine

4-prop-2-enylpiperidine (PubChem CID 18407603) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 4-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-prop-2-enylpiperidine
PubChem CID18407603
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name4-prop-2-enylpiperidine
SMILESC=CCC1CCNCC1
InChIInChI=1S/C8H15N/c1-2-3-8-4-6-9-7-5-8/h2,8-9H,1,3-7H2
InChIKeyVHEJLNYZSZWLBB-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.56
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 4-prop-2-enylpiperidine?
The IUPAC name of 4-prop-2-enylpiperidine (CID 18407603) is 4-prop-2-enylpiperidine.
What is the SMILES notation for 4-prop-2-enylpiperidine?
The canonical SMILES for 4-prop-2-enylpiperidine is C=CCC1CCNCC1.
What is the InChIKey of 4-prop-2-enylpiperidine?
The InChIKey is VHEJLNYZSZWLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-8-4-6-9-7-5-8/h2,8-9H,1,3-7H2.
What are the key properties of 4-prop-2-enylpiperidine?
4-prop-2-enylpiperidine has a molecular weight of 125.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylpiperidine is sourced from PubChem (CID 18407603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).