2-piperidin-4-ylidenepropan-1-ol

C8H15NO — CID 68523339

IUPAC2-piperidin-4-ylidenepropan-1-ol
SMILESCC(CO)=C1CCNCC1
InChIInChI=1S/C8H15NO/c1-7(6-10)8-2-4-9-5-3-8/h9-10H,2-6H2,1H3
InChIKeyKZEZGFDBZXDBQQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds1

About 2-piperidin-4-ylidenepropan-1-ol

2-piperidin-4-ylidenepropan-1-ol (PubChem CID 68523339) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-piperidin-4-ylidenepropan-1-ol.

Molecular Properties

Compound Name2-piperidin-4-ylidenepropan-1-ol
PubChem CID68523339
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-piperidin-4-ylidenepropan-1-ol
SMILESCC(CO)=C1CCNCC1
InChIInChI=1S/C8H15NO/c1-7(6-10)8-2-4-9-5-3-8/h9-10H,2-6H2,1H3
InChIKeyKZEZGFDBZXDBQQ-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
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 2-piperidin-4-ylidenepropan-1-ol?
The IUPAC name of 2-piperidin-4-ylidenepropan-1-ol (CID 68523339) is 2-piperidin-4-ylidenepropan-1-ol.
What is the SMILES notation for 2-piperidin-4-ylidenepropan-1-ol?
The canonical SMILES for 2-piperidin-4-ylidenepropan-1-ol is CC(CO)=C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylidenepropan-1-ol?
The InChIKey is KZEZGFDBZXDBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(6-10)8-2-4-9-5-3-8/h9-10H,2-6H2,1H3.
What are the key properties of 2-piperidin-4-ylidenepropan-1-ol?
2-piperidin-4-ylidenepropan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylidenepropan-1-ol is sourced from PubChem (CID 68523339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).