(2S)-2-prop-2-enylpiperidine

C8H15N — CID 10997029

IUPAC(2S)-2-prop-2-enylpiperidine
SMILESC=CC[C@@H]1CCCCN1
InChIInChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2,8-9H,1,3-7H2/t8-/m1/s1
InChIKeyILOLJAYGPOJDHT-MRVPVSSYSA-N
MW125.22 g/mol
LogP1.70
Rot. Bonds2

About (2S)-2-prop-2-enylpiperidine

(2S)-2-prop-2-enylpiperidine (PubChem CID 10997029) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (2S)-2-prop-2-enylpiperidine.

Molecular Properties

Compound Name(2S)-2-prop-2-enylpiperidine
PubChem CID10997029
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(2S)-2-prop-2-enylpiperidine
SMILESC=CC[C@@H]1CCCCN1
InChIInChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2,8-9H,1,3-7H2/t8-/m1/s1
InChIKeyILOLJAYGPOJDHT-MRVPVSSYSA-N
XLogP1.70
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 ≤ 51.70
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 (2S)-2-prop-2-enylpiperidine?
The IUPAC name of (2S)-2-prop-2-enylpiperidine (CID 10997029) is (2S)-2-prop-2-enylpiperidine.
What is the SMILES notation for (2S)-2-prop-2-enylpiperidine?
The canonical SMILES for (2S)-2-prop-2-enylpiperidine is C=CC[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-prop-2-enylpiperidine?
The InChIKey is ILOLJAYGPOJDHT-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2,8-9H,1,3-7H2/t8-/m1/s1.
What are the key properties of (2S)-2-prop-2-enylpiperidine?
(2S)-2-prop-2-enylpiperidine has a molecular weight of 125.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-2-enylpiperidine is sourced from PubChem (CID 10997029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).