(2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol

C8H15NO — CID 55286118

IUPAC(2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
SMILESC=C[C@@H]1C[C@@H](O)C[C@@H](C)N1
InChIInChI=1S/C8H15NO/c1-3-7-5-8(10)4-6(2)9-7/h3,6-10H,1,4-5H2,2H3/t6-,7-,8+/m1/s1
InChIKeyVSMRWEQQYQONRU-PRJMDXOYSA-N
MW141.21 g/mol
LogP0.67
Rot. Bonds1

About (2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol

(2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol (PubChem CID 55286118) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
PubChem CID55286118
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
SMILESC=C[C@@H]1C[C@@H](O)C[C@@H](C)N1
InChIInChI=1S/C8H15NO/c1-3-7-5-8(10)4-6(2)9-7/h3,6-10H,1,4-5H2,2H3/t6-,7-,8+/m1/s1
InChIKeyVSMRWEQQYQONRU-PRJMDXOYSA-N
XLogP0.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.67
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,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol?
The IUPAC name of (2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol (CID 55286118) is (2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol.
What is the SMILES notation for (2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol?
The canonical SMILES for (2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol is C=C[C@@H]1C[C@@H](O)C[C@@H](C)N1.
What is the InChIKey of (2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol?
The InChIKey is VSMRWEQQYQONRU-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7-5-8(10)4-6(2)9-7/h3,6-10H,1,4-5H2,2H3/t6-,7-,8+/m1/s1.
What are the key properties of (2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol?
(2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol has a molecular weight of 141.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol is sourced from PubChem (CID 55286118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).