3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride

C10H20ClNO2 — CID 175571367

IUPAC3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride
SMILESC=CC1CCN(CC(O)CO)CC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-9-3-5-11(6-4-9)7-10(13)8-12;/h2,9-10,12-13H,1,3-8H2;1H
InChIKeyGWNNZQGOXRGQLC-UHFFFAOYSA-N
MW221.73 g/mol
LogP0.66
Rot. Bonds4

About 3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride

3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride (PubChem CID 175571367) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride
PubChem CID175571367
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride
SMILESC=CC1CCN(CC(O)CO)CC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-9-3-5-11(6-4-9)7-10(13)8-12;/h2,9-10,12-13H,1,3-8H2;1H
InChIKeyGWNNZQGOXRGQLC-UHFFFAOYSA-N
XLogP0.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride?
The IUPAC name of 3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride (CID 175571367) is 3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride.
What is the SMILES notation for 3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride?
The canonical SMILES for 3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride is C=CC1CCN(CC(O)CO)CC1.Cl.
What is the InChIKey of 3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride?
The InChIKey is GWNNZQGOXRGQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-2-9-3-5-11(6-4-9)7-10(13)8-12;/h2,9-10,12-13H,1,3-8H2;1H.
What are the key properties of 3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride?
3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylpiperidin-1-yl)propane-1,2-diol;hydrochloride is sourced from PubChem (CID 175571367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).