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

C9H15NO — CID 91433177

IUPAC1-buta-1,3-dien-2-ylpiperidin-3-ol
SMILESC=CC(=C)N1CCCC(O)C1
InChIInChI=1S/C9H15NO/c1-3-8(2)10-6-4-5-9(11)7-10/h3,9,11H,1-2,4-7H2
InChIKeyOFIIECHQDQRPPT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.14
Rot. Bonds2

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

1-buta-1,3-dien-2-ylpiperidin-3-ol (PubChem CID 91433177) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name1-buta-1,3-dien-2-ylpiperidin-3-ol
PubChem CID91433177
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-buta-1,3-dien-2-ylpiperidin-3-ol
SMILESC=CC(=C)N1CCCC(O)C1
InChIInChI=1S/C9H15NO/c1-3-8(2)10-6-4-5-9(11)7-10/h3,9,11H,1-2,4-7H2
InChIKeyOFIIECHQDQRPPT-UHFFFAOYSA-N
XLogP1.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
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 1-buta-1,3-dien-2-ylpiperidin-3-ol?
The IUPAC name of 1-buta-1,3-dien-2-ylpiperidin-3-ol (CID 91433177) is 1-buta-1,3-dien-2-ylpiperidin-3-ol.
What is the SMILES notation for 1-buta-1,3-dien-2-ylpiperidin-3-ol?
The canonical SMILES for 1-buta-1,3-dien-2-ylpiperidin-3-ol is C=CC(=C)N1CCCC(O)C1.
What is the InChIKey of 1-buta-1,3-dien-2-ylpiperidin-3-ol?
The InChIKey is OFIIECHQDQRPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8(2)10-6-4-5-9(11)7-10/h3,9,11H,1-2,4-7H2.
What are the key properties of 1-buta-1,3-dien-2-ylpiperidin-3-ol?
1-buta-1,3-dien-2-ylpiperidin-3-ol has a molecular weight of 153.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-ylpiperidin-3-ol is sourced from PubChem (CID 91433177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).