4-prop-2-enylpiperidin-3-ol

C8H15NO — CID 89139617

IUPAC4-prop-2-enylpiperidin-3-ol
SMILESC=CCC1CCNCC1O
InChIInChI=1S/C8H15NO/c1-2-3-7-4-5-9-6-8(7)10/h2,7-10H,1,3-6H2
InChIKeyFEJQBGFEVPKKNC-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds2

About 4-prop-2-enylpiperidin-3-ol

4-prop-2-enylpiperidin-3-ol (PubChem CID 89139617) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-prop-2-enylpiperidin-3-ol.

Molecular Properties

Compound Name4-prop-2-enylpiperidin-3-ol
PubChem CID89139617
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-prop-2-enylpiperidin-3-ol
SMILESC=CCC1CCNCC1O
InChIInChI=1S/C8H15NO/c1-2-3-7-4-5-9-6-8(7)10/h2,7-10H,1,3-6H2
InChIKeyFEJQBGFEVPKKNC-UHFFFAOYSA-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 4-prop-2-enylpiperidin-3-ol?
The IUPAC name of 4-prop-2-enylpiperidin-3-ol (CID 89139617) is 4-prop-2-enylpiperidin-3-ol.
What is the SMILES notation for 4-prop-2-enylpiperidin-3-ol?
The canonical SMILES for 4-prop-2-enylpiperidin-3-ol is C=CCC1CCNCC1O.
What is the InChIKey of 4-prop-2-enylpiperidin-3-ol?
The InChIKey is FEJQBGFEVPKKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-7-4-5-9-6-8(7)10/h2,7-10H,1,3-6H2.
What are the key properties of 4-prop-2-enylpiperidin-3-ol?
4-prop-2-enylpiperidin-3-ol 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 4-prop-2-enylpiperidin-3-ol is sourced from PubChem (CID 89139617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).