3-prop-1-en-2-ylpiperidin-3-ol

C8H15NO — CID 79190007

IUPAC3-prop-1-en-2-ylpiperidin-3-ol
SMILESC=C(C)C1(O)CCCNC1
InChIInChI=1S/C8H15NO/c1-7(2)8(10)4-3-5-9-6-8/h9-10H,1,3-6H2,2H3
InChIKeyPCXXLKAUQJAFSD-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds1

About 3-prop-1-en-2-ylpiperidin-3-ol

3-prop-1-en-2-ylpiperidin-3-ol (PubChem CID 79190007) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-prop-1-en-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name3-prop-1-en-2-ylpiperidin-3-ol
PubChem CID79190007
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-prop-1-en-2-ylpiperidin-3-ol
SMILESC=C(C)C1(O)CCCNC1
InChIInChI=1S/C8H15NO/c1-7(2)8(10)4-3-5-9-6-8/h9-10H,1,3-6H2,2H3
InChIKeyPCXXLKAUQJAFSD-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
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-prop-1-en-2-ylpiperidin-3-ol?
The IUPAC name of 3-prop-1-en-2-ylpiperidin-3-ol (CID 79190007) is 3-prop-1-en-2-ylpiperidin-3-ol.
What is the SMILES notation for 3-prop-1-en-2-ylpiperidin-3-ol?
The canonical SMILES for 3-prop-1-en-2-ylpiperidin-3-ol is C=C(C)C1(O)CCCNC1.
What is the InChIKey of 3-prop-1-en-2-ylpiperidin-3-ol?
The InChIKey is PCXXLKAUQJAFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)8(10)4-3-5-9-6-8/h9-10H,1,3-6H2,2H3.
What are the key properties of 3-prop-1-en-2-ylpiperidin-3-ol?
3-prop-1-en-2-ylpiperidin-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-ylpiperidin-3-ol is sourced from PubChem (CID 79190007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).