2-prop-1-enylpiperidine

C8H15N — CID 53405868

IUPAC2-prop-1-enylpiperidine
SMILESCC=CC1CCCCN1
InChIInChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyVSTUPIHCUMAUGE-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.70
Rot. Bonds1

About 2-prop-1-enylpiperidine

2-prop-1-enylpiperidine (PubChem CID 53405868) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-prop-1-enylpiperidine.

Molecular Properties

Compound Name2-prop-1-enylpiperidine
PubChem CID53405868
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-prop-1-enylpiperidine
SMILESCC=CC1CCCCN1
InChIInChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyVSTUPIHCUMAUGE-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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 2-prop-1-enylpiperidine?
The IUPAC name of 2-prop-1-enylpiperidine (CID 53405868) is 2-prop-1-enylpiperidine.
What is the SMILES notation for 2-prop-1-enylpiperidine?
The canonical SMILES for 2-prop-1-enylpiperidine is CC=CC1CCCCN1.
What is the InChIKey of 2-prop-1-enylpiperidine?
The InChIKey is VSTUPIHCUMAUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2,5,8-9H,3-4,6-7H2,1H3.
What are the key properties of 2-prop-1-enylpiperidine?
2-prop-1-enylpiperidine has a molecular weight of 125.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enylpiperidine is sourced from PubChem (CID 53405868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).