(1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride

C15H21Cl2NO3 — CID 6917965

IUPAC(1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride
SMILESCN1CCCC(COC(=O)COc2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C15H20ClNO3.ClH/c1-17-8-2-3-12(9-17)10-20-15(18)11-19-14-6-4-13(16)5-7-14;/h4-7,12H,2-3,8-11H2,1H3;1H
InChIKeyJHJOZTMFSDMYCE-UHFFFAOYSA-N
MW334.24 g/mol
LogP3.03
Rot. Bonds5

About (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride

(1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride (PubChem CID 6917965) has the molecular formula C15H21Cl2NO3 and a molecular weight of 334.24 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride
PubChem CID6917965
Molecular FormulaC15H21Cl2NO3
Molecular Weight334.24 g/mol
Exact Mass333.09
IUPAC Name(1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride
SMILESCN1CCCC(COC(=O)COc2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C15H20ClNO3.ClH/c1-17-8-2-3-12(9-17)10-20-15(18)11-19-14-6-4-13(16)5-7-14;/h4-7,12H,2-3,8-11H2,1H3;1H
InChIKeyJHJOZTMFSDMYCE-UHFFFAOYSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)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 (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride?
The IUPAC name of (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride (CID 6917965) is (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride is CN1CCCC(COC(=O)COc2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride?
The InChIKey is JHJOZTMFSDMYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3.ClH/c1-17-8-2-3-12(9-17)10-20-15(18)11-19-14-6-4-13(16)5-7-14;/h4-7,12H,2-3,8-11H2,1H3;1H.
What are the key properties of (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride?
(1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride has a molecular weight of 334.24 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride is sourced from PubChem (CID 6917965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).