3-piperidin-4-ylbut-3-en-1-ol

C9H17NO — CID 117268286

IUPAC3-piperidin-4-ylbut-3-en-1-ol
SMILESC=C(CCO)C1CCNCC1
InChIInChI=1S/C9H17NO/c1-8(4-7-11)9-2-5-10-6-3-9/h9-11H,1-7H2
InChIKeyJVHHNVUYETVNGP-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds3

About 3-piperidin-4-ylbut-3-en-1-ol

3-piperidin-4-ylbut-3-en-1-ol (PubChem CID 117268286) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-piperidin-4-ylbut-3-en-1-ol.

Molecular Properties

Compound Name3-piperidin-4-ylbut-3-en-1-ol
PubChem CID117268286
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-piperidin-4-ylbut-3-en-1-ol
SMILESC=C(CCO)C1CCNCC1
InChIInChI=1S/C9H17NO/c1-8(4-7-11)9-2-5-10-6-3-9/h9-11H,1-7H2
InChIKeyJVHHNVUYETVNGP-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
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

2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethan-1-ol
CID 22825905
2-(3-Methylidenepiperidin-4-yl)ethanol
CID 22928791
2-[(3R)-3-ethenylpiperidin-4-yl]ethanol
CID 70502413
2-(Piperidin-4-yl)prop-2-en-1-ol
CID 89139621
[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
CID 89269282
3-But-3-enylpiperidin-4-ol
CID 114451881
5-Piperidin-4-ylpent-1-en-3-ol
CID 118964334
(4-Piperidin-4-ylcyclobut-2-en-1-yl)methanol
CID 123392119
2-(Piperidin-4-ylmethyl)but-3-en-1-ol
CID 142260790
[4-(2-Methylprop-2-enyl)piperidin-4-yl]methanol
CID 156796666
4-Piperidin-4-ylpent-4-en-2-ol
CID 169595340
(3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol
CID 11564486

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylbut-3-en-1-ol?
The IUPAC name of 3-piperidin-4-ylbut-3-en-1-ol (CID 117268286) is 3-piperidin-4-ylbut-3-en-1-ol.
What is the SMILES notation for 3-piperidin-4-ylbut-3-en-1-ol?
The canonical SMILES for 3-piperidin-4-ylbut-3-en-1-ol is C=C(CCO)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-ylbut-3-en-1-ol?
The InChIKey is JVHHNVUYETVNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(4-7-11)9-2-5-10-6-3-9/h9-11H,1-7H2.
What are the key properties of 3-piperidin-4-ylbut-3-en-1-ol?
3-piperidin-4-ylbut-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylbut-3-en-1-ol is sourced from PubChem (CID 117268286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).