3-ethenylpiperidin-3-ol

C7H13NO — CID 65416047

IUPAC3-ethenylpiperidin-3-ol
SMILESC=CC1(O)CCCNC1
InChIInChI=1S/C7H13NO/c1-2-7(9)4-3-5-8-6-7/h2,8-9H,1,3-6H2
InChIKeyBGJMJHJMUUQVJT-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About 3-ethenylpiperidin-3-ol

3-ethenylpiperidin-3-ol (PubChem CID 65416047) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-ethenylpiperidin-3-ol.

Molecular Properties

Compound Name3-ethenylpiperidin-3-ol
PubChem CID65416047
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-ethenylpiperidin-3-ol
SMILESC=CC1(O)CCCNC1
InChIInChI=1S/C7H13NO/c1-2-7(9)4-3-5-8-6-7/h2,8-9H,1,3-6H2
InChIKeyBGJMJHJMUUQVJT-UHFFFAOYSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.29
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 3-ethenylpiperidin-3-ol?
The IUPAC name of 3-ethenylpiperidin-3-ol (CID 65416047) is 3-ethenylpiperidin-3-ol.
What is the SMILES notation for 3-ethenylpiperidin-3-ol?
The canonical SMILES for 3-ethenylpiperidin-3-ol is C=CC1(O)CCCNC1.
What is the InChIKey of 3-ethenylpiperidin-3-ol?
The InChIKey is BGJMJHJMUUQVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7(9)4-3-5-8-6-7/h2,8-9H,1,3-6H2.
What are the key properties of 3-ethenylpiperidin-3-ol?
3-ethenylpiperidin-3-ol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpiperidin-3-ol is sourced from PubChem (CID 65416047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).