3-but-3-en-2-ylpiperidin-4-ol

C9H17NO — CID 114451788

IUPAC3-but-3-en-2-ylpiperidin-4-ol
SMILESC=CC(C)C1CNCCC1O
InChIInChI=1S/C9H17NO/c1-3-7(2)8-6-10-5-4-9(8)11/h3,7-11H,1,4-6H2,2H3
InChIKeyIKBRCNJPAXBNEX-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.78
Rot. Bonds2

About 3-but-3-en-2-ylpiperidin-4-ol

3-but-3-en-2-ylpiperidin-4-ol (PubChem CID 114451788) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-but-3-en-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name3-but-3-en-2-ylpiperidin-4-ol
PubChem CID114451788
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-but-3-en-2-ylpiperidin-4-ol
SMILESC=CC(C)C1CNCCC1O
InChIInChI=1S/C9H17NO/c1-3-7(2)8-6-10-5-4-9(8)11/h3,7-11H,1,4-6H2,2H3
InChIKeyIKBRCNJPAXBNEX-UHFFFAOYSA-N
XLogP0.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.78
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-but-3-en-2-ylpiperidin-4-ol?
The IUPAC name of 3-but-3-en-2-ylpiperidin-4-ol (CID 114451788) is 3-but-3-en-2-ylpiperidin-4-ol.
What is the SMILES notation for 3-but-3-en-2-ylpiperidin-4-ol?
The canonical SMILES for 3-but-3-en-2-ylpiperidin-4-ol is C=CC(C)C1CNCCC1O.
What is the InChIKey of 3-but-3-en-2-ylpiperidin-4-ol?
The InChIKey is IKBRCNJPAXBNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-7(2)8-6-10-5-4-9(8)11/h3,7-11H,1,4-6H2,2H3.
What are the key properties of 3-but-3-en-2-ylpiperidin-4-ol?
3-but-3-en-2-ylpiperidin-4-ol has a molecular weight of 155.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-ylpiperidin-4-ol is sourced from PubChem (CID 114451788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).