3-piperidin-4-ylprop-1-en-1-ol

C8H15NO — CID 70137353

IUPAC3-piperidin-4-ylprop-1-en-1-ol
SMILESOC=CCC1CCNCC1
InChIInChI=1S/C8H15NO/c10-7-1-2-8-3-5-9-6-4-8/h1,7-10H,2-6H2
InChIKeyOLMHEQMGBSEUPF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.45
Rot. Bonds2

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

3-piperidin-4-ylprop-1-en-1-ol (PubChem CID 70137353) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-piperidin-4-ylprop-1-en-1-ol.

Molecular Properties

Compound Name3-piperidin-4-ylprop-1-en-1-ol
PubChem CID70137353
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-piperidin-4-ylprop-1-en-1-ol
SMILESOC=CCC1CCNCC1
InChIInChI=1S/C8H15NO/c10-7-1-2-8-3-5-9-6-4-8/h1,7-10H,2-6H2
InChIKeyOLMHEQMGBSEUPF-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylprop-1-en-1-ol?
The IUPAC name of 3-piperidin-4-ylprop-1-en-1-ol (CID 70137353) is 3-piperidin-4-ylprop-1-en-1-ol.
What is the SMILES notation for 3-piperidin-4-ylprop-1-en-1-ol?
The canonical SMILES for 3-piperidin-4-ylprop-1-en-1-ol is OC=CCC1CCNCC1.
What is the InChIKey of 3-piperidin-4-ylprop-1-en-1-ol?
The InChIKey is OLMHEQMGBSEUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-7-1-2-8-3-5-9-6-4-8/h1,7-10H,2-6H2.
What are the key properties of 3-piperidin-4-ylprop-1-en-1-ol?
3-piperidin-4-ylprop-1-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylprop-1-en-1-ol is sourced from PubChem (CID 70137353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).