2-piperidin-3-ylethenol

C7H13NO — CID 143898593

IUPAC2-piperidin-3-ylethenol
SMILESOC=CC1CCCNC1
InChIInChI=1S/C7H13NO/c9-5-3-7-2-1-4-8-6-7/h3,5,7-9H,1-2,4,6H2
InChIKeyCQEBCEQPPRHZIJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.06
Rot. Bonds1

About 2-piperidin-3-ylethenol

2-piperidin-3-ylethenol (PubChem CID 143898593) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-piperidin-3-ylethenol.

Molecular Properties

Compound Name2-piperidin-3-ylethenol
PubChem CID143898593
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-piperidin-3-ylethenol
SMILESOC=CC1CCCNC1
InChIInChI=1S/C7H13NO/c9-5-3-7-2-1-4-8-6-7/h3,5,7-9H,1-2,4,6H2
InChIKeyCQEBCEQPPRHZIJ-UHFFFAOYSA-N
XLogP1.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.06
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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Related Compounds

3-[(E)-3-methylbut-1-enyl]piperidine
CID 126845322
(3R)-piperidine-3-carbaldehyde;dihydrochloride
CID 138683513
(Z)-4-piperidin-3-ylbut-3-enal
CID 117267528
3-[(E)-2-methylbut-1-enyl]piperidine
CID 126845848
ethane;piperidine-3-carbaldehyde;propane
CID 145347088
3-[(E)-prop-1-enyl]pyrrolidine
CID 87940337
3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride
CID 126845234
piperidin-3-ol;dihydrochloride
CID 67374500
(E)-3-pyrrolidin-3-ylprop-2-enal
CID 115011111
3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride
CID 126844557
3-but-1-enylpyrrolidine
CID 54030286
piperidin-3-ylmethanol
CID 161361606

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylethenol?
The IUPAC name of 2-piperidin-3-ylethenol (CID 143898593) is 2-piperidin-3-ylethenol.
What is the SMILES notation for 2-piperidin-3-ylethenol?
The canonical SMILES for 2-piperidin-3-ylethenol is OC=CC1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylethenol?
The InChIKey is CQEBCEQPPRHZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-5-3-7-2-1-4-8-6-7/h3,5,7-9H,1-2,4,6H2.
What are the key properties of 2-piperidin-3-ylethenol?
2-piperidin-3-ylethenol has a molecular weight of 127.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylethenol is sourced from PubChem (CID 143898593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).