ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride

C9H18ClNO3 — CID 163342200

IUPACethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1(O)CCCNC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-2-13-8(11)6-9(12)4-3-5-10-7-9;/h10,12H,2-7H2,1H3;1H
InChIKeyKILXEQNGXFYKFP-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.48
Rot. Bonds3

About ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride

ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride (PubChem CID 163342200) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
PubChem CID163342200
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Nameethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1(O)CCCNC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-2-13-8(11)6-9(12)4-3-5-10-7-9;/h10,12H,2-7H2,1H3;1H
InChIKeyKILXEQNGXFYKFP-UHFFFAOYSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride (CID 163342200) is ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride is CCOC(=O)CC1(O)CCCNC1.Cl.
What is the InChIKey of ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride?
The InChIKey is KILXEQNGXFYKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-2-13-8(11)6-9(12)4-3-5-10-7-9;/h10,12H,2-7H2,1H3;1H.
What are the key properties of ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride?
ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride is sourced from PubChem (CID 163342200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).