3-piperidin-2-ylprop-1-en-2-ol

C8H15NO — CID 155431619

IUPAC3-piperidin-2-ylprop-1-en-2-ol
SMILESC=C(O)CC1CCCCN1
InChIInChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-10H,1-6H2
InChIKeyMZNSNGKZDBPGIM-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.59
Rot. Bonds2

About 3-piperidin-2-ylprop-1-en-2-ol

3-piperidin-2-ylprop-1-en-2-ol (PubChem CID 155431619) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-piperidin-2-ylprop-1-en-2-ol.

Molecular Properties

Compound Name3-piperidin-2-ylprop-1-en-2-ol
PubChem CID155431619
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-piperidin-2-ylprop-1-en-2-ol
SMILESC=C(O)CC1CCCCN1
InChIInChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-10H,1-6H2
InChIKeyMZNSNGKZDBPGIM-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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-2-ylprop-1-en-2-ol?
The IUPAC name of 3-piperidin-2-ylprop-1-en-2-ol (CID 155431619) is 3-piperidin-2-ylprop-1-en-2-ol.
What is the SMILES notation for 3-piperidin-2-ylprop-1-en-2-ol?
The canonical SMILES for 3-piperidin-2-ylprop-1-en-2-ol is C=C(O)CC1CCCCN1.
What is the InChIKey of 3-piperidin-2-ylprop-1-en-2-ol?
The InChIKey is MZNSNGKZDBPGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-10H,1-6H2.
What are the key properties of 3-piperidin-2-ylprop-1-en-2-ol?
3-piperidin-2-ylprop-1-en-2-ol has a molecular weight of 141.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-ylprop-1-en-2-ol is sourced from PubChem (CID 155431619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).