3-piperidin-2-ylbut-3-en-1-ol

C9H17NO — CID 117268564

IUPAC3-piperidin-2-ylbut-3-en-1-ol
SMILESC=C(CCO)C1CCCCN1
InChIInChI=1S/C9H17NO/c1-8(5-7-11)9-4-2-3-6-10-9/h9-11H,1-7H2
InChIKeyLJSYBDAKVWKCIR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds3

About 3-piperidin-2-ylbut-3-en-1-ol

3-piperidin-2-ylbut-3-en-1-ol (PubChem CID 117268564) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-piperidin-2-ylbut-3-en-1-ol.

Molecular Properties

Compound Name3-piperidin-2-ylbut-3-en-1-ol
PubChem CID117268564
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-piperidin-2-ylbut-3-en-1-ol
SMILESC=C(CCO)C1CCCCN1
InChIInChI=1S/C9H17NO/c1-8(5-7-11)9-4-2-3-6-10-9/h9-11H,1-7H2
InChIKeyLJSYBDAKVWKCIR-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2s)-Pyrrolidin-2-yl)-3-buten-1-ol
CID 11423649
3-(2-Methyl-1,2,3,4-tetrahydropyridin-5-yl)propan-1-ol
CID 70253988
(5-Methylidenepiperidin-2-yl)methanol
CID 123139479
(3-Methylidenepiperidin-2-yl)methanol
CID 123169989
7-(Propan-2-ylamino)-3-prop-1-enylideneheptan-1-ol
CID 132001651
3-Pyrrolidin-2-ylbut-3-en-1-ol
CID 72956246
2-(2-Methylprop-2-enyl)piperidin-3-ol
CID 86229520
2-Piperidin-2-ylprop-2-en-1-ol
CID 117266677
2-(Piperidin-2-ylmethyl)prop-2-en-1-ol
CID 117266690
3-(1-Methylpiperidin-2-yl)but-3-en-1-ol
CID 117268565
3-(1-Ethylpiperidin-2-yl)but-3-en-1-ol
CID 117268566
3-(1-Propan-2-ylpiperidin-2-yl)but-3-en-1-ol
CID 117268567

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-ylbut-3-en-1-ol?
The IUPAC name of 3-piperidin-2-ylbut-3-en-1-ol (CID 117268564) is 3-piperidin-2-ylbut-3-en-1-ol.
What is the SMILES notation for 3-piperidin-2-ylbut-3-en-1-ol?
The canonical SMILES for 3-piperidin-2-ylbut-3-en-1-ol is C=C(CCO)C1CCCCN1.
What is the InChIKey of 3-piperidin-2-ylbut-3-en-1-ol?
The InChIKey is LJSYBDAKVWKCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(5-7-11)9-4-2-3-6-10-9/h9-11H,1-7H2.
What are the key properties of 3-piperidin-2-ylbut-3-en-1-ol?
3-piperidin-2-ylbut-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-ylbut-3-en-1-ol is sourced from PubChem (CID 117268564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).