3-prop-2-enylpiperidine

C8H15N — CID 19097419

IUPAC3-prop-2-enylpiperidine
SMILESC=CCC1CCCNC1
InChIInChI=1S/C8H15N/c1-2-4-8-5-3-6-9-7-8/h2,8-9H,1,3-7H2
InChIKeyDOVPSHLIYFKBPI-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.56
Rot. Bonds2

About 3-prop-2-enylpiperidine

3-prop-2-enylpiperidine (PubChem CID 19097419) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 3-prop-2-enylpiperidine.

Molecular Properties

Compound Name3-prop-2-enylpiperidine
PubChem CID19097419
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name3-prop-2-enylpiperidine
SMILESC=CCC1CCCNC1
InChIInChI=1S/C8H15N/c1-2-4-8-5-3-6-9-7-8/h2,8-9H,1,3-7H2
InChIKeyDOVPSHLIYFKBPI-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 3-prop-2-enylpiperidine?
The IUPAC name of 3-prop-2-enylpiperidine (CID 19097419) is 3-prop-2-enylpiperidine.
What is the SMILES notation for 3-prop-2-enylpiperidine?
The canonical SMILES for 3-prop-2-enylpiperidine is C=CCC1CCCNC1.
What is the InChIKey of 3-prop-2-enylpiperidine?
The InChIKey is DOVPSHLIYFKBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-4-8-5-3-6-9-7-8/h2,8-9H,1,3-7H2.
What are the key properties of 3-prop-2-enylpiperidine?
3-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 3-prop-2-enylpiperidine is sourced from PubChem (CID 19097419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).