[(2S,3S)-3-ethenylpiperidin-2-yl]methanol

C8H15NO — CID 89269282

IUPAC[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
SMILESC=C[C@@H]1CCCN[C@@H]1CO
InChIInChI=1S/C8H15NO/c1-2-7-4-3-5-9-8(7)6-10/h2,7-10H,1,3-6H2/t7-,8-/m1/s1
InChIKeyXZYNJHRKSGNRLU-HTQZYQBOSA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds2

About [(2S,3S)-3-ethenylpiperidin-2-yl]methanol

[(2S,3S)-3-ethenylpiperidin-2-yl]methanol (PubChem CID 89269282) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(2S,3S)-3-ethenylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
PubChem CID89269282
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
SMILESC=C[C@@H]1CCCN[C@@H]1CO
InChIInChI=1S/C8H15NO/c1-2-7-4-3-5-9-8(7)6-10/h2,7-10H,1,3-6H2/t7-,8-/m1/s1
InChIKeyXZYNJHRKSGNRLU-HTQZYQBOSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
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 [(2S,3S)-3-ethenylpiperidin-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-ethenylpiperidin-2-yl]methanol (CID 89269282) is [(2S,3S)-3-ethenylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-ethenylpiperidin-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-ethenylpiperidin-2-yl]methanol is C=C[C@@H]1CCCN[C@@H]1CO.
What is the InChIKey of [(2S,3S)-3-ethenylpiperidin-2-yl]methanol?
The InChIKey is XZYNJHRKSGNRLU-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-7-4-3-5-9-8(7)6-10/h2,7-10H,1,3-6H2/t7-,8-/m1/s1.
What are the key properties of [(2S,3S)-3-ethenylpiperidin-2-yl]methanol?
[(2S,3S)-3-ethenylpiperidin-2-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-ethenylpiperidin-2-yl]methanol is sourced from PubChem (CID 89269282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).