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

C9H17NO — CID 69342629

IUPAC1-piperidin-1-ylbut-2-en-1-ol
SMILESCC=CC(O)N1CCCCC1
InChIInChI=1S/C9H17NO/c1-2-6-9(11)10-7-4-3-5-8-10/h2,6,9,11H,3-5,7-8H2,1H3
InChIKeyMBZMINDPIHDRCD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.37
Rot. Bonds2

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

1-piperidin-1-ylbut-2-en-1-ol (PubChem CID 69342629) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-piperidin-1-ylbut-2-en-1-ol.

Molecular Properties

Compound Name1-piperidin-1-ylbut-2-en-1-ol
PubChem CID69342629
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-piperidin-1-ylbut-2-en-1-ol
SMILESCC=CC(O)N1CCCCC1
InChIInChI=1S/C9H17NO/c1-2-6-9(11)10-7-4-3-5-8-10/h2,6,9,11H,3-5,7-8H2,1H3
InChIKeyMBZMINDPIHDRCD-UHFFFAOYSA-N
XLogP1.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
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 1-piperidin-1-ylbut-2-en-1-ol?
The IUPAC name of 1-piperidin-1-ylbut-2-en-1-ol (CID 69342629) is 1-piperidin-1-ylbut-2-en-1-ol.
What is the SMILES notation for 1-piperidin-1-ylbut-2-en-1-ol?
The canonical SMILES for 1-piperidin-1-ylbut-2-en-1-ol is CC=CC(O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylbut-2-en-1-ol?
The InChIKey is MBZMINDPIHDRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-6-9(11)10-7-4-3-5-8-10/h2,6,9,11H,3-5,7-8H2,1H3.
What are the key properties of 1-piperidin-1-ylbut-2-en-1-ol?
1-piperidin-1-ylbut-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylbut-2-en-1-ol is sourced from PubChem (CID 69342629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).