4-buta-1,3-dien-2-ylpiperidin-4-ol

C9H15NO — CID 169137954

IUPAC4-buta-1,3-dien-2-ylpiperidin-4-ol
SMILESC=CC(=C)C1(O)CCNCC1
InChIInChI=1S/C9H15NO/c1-3-8(2)9(11)4-6-10-7-5-9/h3,10-11H,1-2,4-7H2
InChIKeyRESUVOIHZNOBOA-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.84
Rot. Bonds2

About 4-buta-1,3-dien-2-ylpiperidin-4-ol

4-buta-1,3-dien-2-ylpiperidin-4-ol (PubChem CID 169137954) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-buta-1,3-dien-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-buta-1,3-dien-2-ylpiperidin-4-ol
PubChem CID169137954
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-buta-1,3-dien-2-ylpiperidin-4-ol
SMILESC=CC(=C)C1(O)CCNCC1
InChIInChI=1S/C9H15NO/c1-3-8(2)9(11)4-6-10-7-5-9/h3,10-11H,1-2,4-7H2
InChIKeyRESUVOIHZNOBOA-UHFFFAOYSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-buta-1,3-dien-2-ylpiperidin-4-ol?
The IUPAC name of 4-buta-1,3-dien-2-ylpiperidin-4-ol (CID 169137954) is 4-buta-1,3-dien-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-buta-1,3-dien-2-ylpiperidin-4-ol?
The canonical SMILES for 4-buta-1,3-dien-2-ylpiperidin-4-ol is C=CC(=C)C1(O)CCNCC1.
What is the InChIKey of 4-buta-1,3-dien-2-ylpiperidin-4-ol?
The InChIKey is RESUVOIHZNOBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8(2)9(11)4-6-10-7-5-9/h3,10-11H,1-2,4-7H2.
What are the key properties of 4-buta-1,3-dien-2-ylpiperidin-4-ol?
4-buta-1,3-dien-2-ylpiperidin-4-ol has a molecular weight of 153.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-1,3-dien-2-ylpiperidin-4-ol is sourced from PubChem (CID 169137954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).