(3S,4S)-4-ethenyl-3-methylpiperidine

C8H15N — CID 89105359

IUPAC(3S,4S)-4-ethenyl-3-methylpiperidine
SMILESC=C[C@@H]1CCNC[C@H]1C
InChIInChI=1S/C8H15N/c1-3-8-4-5-9-6-7(8)2/h3,7-9H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeyAISGEPJPFOJTOS-HTQZYQBOSA-N
MW125.22 g/mol
LogP1.42
Rot. Bonds1

About (3S,4S)-4-ethenyl-3-methylpiperidine

(3S,4S)-4-ethenyl-3-methylpiperidine (PubChem CID 89105359) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (3S,4S)-4-ethenyl-3-methylpiperidine.

Molecular Properties

Compound Name(3S,4S)-4-ethenyl-3-methylpiperidine
PubChem CID89105359
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(3S,4S)-4-ethenyl-3-methylpiperidine
SMILESC=C[C@@H]1CCNC[C@H]1C
InChIInChI=1S/C8H15N/c1-3-8-4-5-9-6-7(8)2/h3,7-9H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeyAISGEPJPFOJTOS-HTQZYQBOSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.42
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 (3S,4S)-4-ethenyl-3-methylpiperidine?
The IUPAC name of (3S,4S)-4-ethenyl-3-methylpiperidine (CID 89105359) is (3S,4S)-4-ethenyl-3-methylpiperidine.
What is the SMILES notation for (3S,4S)-4-ethenyl-3-methylpiperidine?
The canonical SMILES for (3S,4S)-4-ethenyl-3-methylpiperidine is C=C[C@@H]1CCNC[C@H]1C.
What is the InChIKey of (3S,4S)-4-ethenyl-3-methylpiperidine?
The InChIKey is AISGEPJPFOJTOS-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8-4-5-9-6-7(8)2/h3,7-9H,1,4-6H2,2H3/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-4-ethenyl-3-methylpiperidine?
(3S,4S)-4-ethenyl-3-methylpiperidine has a molecular weight of 125.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethenyl-3-methylpiperidine is sourced from PubChem (CID 89105359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).