piperidine;prop-2-en-1-ol

C8H17NO — CID 118523561

IUPACpiperidine;prop-2-en-1-ol
SMILESC1CCNCC1.C=CCO
InChIInChI=1S/C5H11N.C3H6O/c1-2-4-6-5-3-1;1-2-3-4/h6H,1-5H2;2,4H,1,3H2
InChIKeyGWOBLSIGJPPFED-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds1

About piperidine;prop-2-en-1-ol

piperidine;prop-2-en-1-ol (PubChem CID 118523561) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is piperidine;prop-2-en-1-ol.

Molecular Properties

Compound Namepiperidine;prop-2-en-1-ol
PubChem CID118523561
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namepiperidine;prop-2-en-1-ol
SMILESC1CCNCC1.C=CCO
InChIInChI=1S/C5H11N.C3H6O/c1-2-4-6-5-3-1;1-2-3-4/h6H,1-5H2;2,4H,1,3H2
InChIKeyGWOBLSIGJPPFED-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
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 piperidine;prop-2-en-1-ol?
The IUPAC name of piperidine;prop-2-en-1-ol (CID 118523561) is piperidine;prop-2-en-1-ol.
What is the SMILES notation for piperidine;prop-2-en-1-ol?
The canonical SMILES for piperidine;prop-2-en-1-ol is C1CCNCC1.C=CCO.
What is the InChIKey of piperidine;prop-2-en-1-ol?
The InChIKey is GWOBLSIGJPPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6O/c1-2-4-6-5-3-1;1-2-3-4/h6H,1-5H2;2,4H,1,3H2.
What are the key properties of piperidine;prop-2-en-1-ol?
piperidine;prop-2-en-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;prop-2-en-1-ol is sourced from PubChem (CID 118523561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).