1-[(3R)-piperidin-3-yl]ethenol

C7H13NO — CID 70266404

IUPAC1-[(3R)-piperidin-3-yl]ethenol
SMILESC=C(O)[C@@H]1CCCNC1
InChIInChI=1S/C7H13NO/c1-6(9)7-3-2-4-8-5-7/h7-9H,1-5H2/t7-/m1/s1
InChIKeyWHBYKMVMIHRZKI-SSDOTTSWSA-N
MW127.19 g/mol
LogP1.06
Rot. Bonds1

About 1-[(3R)-piperidin-3-yl]ethenol

1-[(3R)-piperidin-3-yl]ethenol (PubChem CID 70266404) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-[(3R)-piperidin-3-yl]ethenol.

Molecular Properties

Compound Name1-[(3R)-piperidin-3-yl]ethenol
PubChem CID70266404
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-[(3R)-piperidin-3-yl]ethenol
SMILESC=C(O)[C@@H]1CCCNC1
InChIInChI=1S/C7H13NO/c1-6(9)7-3-2-4-8-5-7/h7-9H,1-5H2/t7-/m1/s1
InChIKeyWHBYKMVMIHRZKI-SSDOTTSWSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidin-3-yl]ethenol?
The IUPAC name of 1-[(3R)-piperidin-3-yl]ethenol (CID 70266404) is 1-[(3R)-piperidin-3-yl]ethenol.
What is the SMILES notation for 1-[(3R)-piperidin-3-yl]ethenol?
The canonical SMILES for 1-[(3R)-piperidin-3-yl]ethenol is C=C(O)[C@@H]1CCCNC1.
What is the InChIKey of 1-[(3R)-piperidin-3-yl]ethenol?
The InChIKey is WHBYKMVMIHRZKI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)7-3-2-4-8-5-7/h7-9H,1-5H2/t7-/m1/s1.
What are the key properties of 1-[(3R)-piperidin-3-yl]ethenol?
1-[(3R)-piperidin-3-yl]ethenol 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 1-[(3R)-piperidin-3-yl]ethenol is sourced from PubChem (CID 70266404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).