(3R,4S)-3-ethenyl-4-methoxypiperidine

C8H15NO — CID 129271196

IUPAC(3R,4S)-3-ethenyl-4-methoxypiperidine
SMILESC=C[C@@H]1CNCC[C@@H]1OC
InChIInChI=1S/C8H15NO/c1-3-7-6-9-5-4-8(7)10-2/h3,7-9H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyOPCXQVAXGFDWHD-SFYZADRCSA-N
MW141.21 g/mol
LogP0.80
Rot. Bonds2

About (3R,4S)-3-ethenyl-4-methoxypiperidine

(3R,4S)-3-ethenyl-4-methoxypiperidine (PubChem CID 129271196) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3R,4S)-3-ethenyl-4-methoxypiperidine.

Molecular Properties

Compound Name(3R,4S)-3-ethenyl-4-methoxypiperidine
PubChem CID129271196
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3R,4S)-3-ethenyl-4-methoxypiperidine
SMILESC=C[C@@H]1CNCC[C@@H]1OC
InChIInChI=1S/C8H15NO/c1-3-7-6-9-5-4-8(7)10-2/h3,7-9H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyOPCXQVAXGFDWHD-SFYZADRCSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R,4S)-3-ethenyl-4-methoxypiperidine?
The IUPAC name of (3R,4S)-3-ethenyl-4-methoxypiperidine (CID 129271196) is (3R,4S)-3-ethenyl-4-methoxypiperidine.
What is the SMILES notation for (3R,4S)-3-ethenyl-4-methoxypiperidine?
The canonical SMILES for (3R,4S)-3-ethenyl-4-methoxypiperidine is C=C[C@@H]1CNCC[C@@H]1OC.
What is the InChIKey of (3R,4S)-3-ethenyl-4-methoxypiperidine?
The InChIKey is OPCXQVAXGFDWHD-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7-6-9-5-4-8(7)10-2/h3,7-9H,1,4-6H2,2H3/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-3-ethenyl-4-methoxypiperidine?
(3R,4S)-3-ethenyl-4-methoxypiperidine has a molecular weight of 141.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethenyl-4-methoxypiperidine is sourced from PubChem (CID 129271196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).