methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride

C15H22ClNO2 — CID 154843186

IUPACmethyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride
SMILESCOC(=O)C(c1cccc(C)c1)C1CCNCC1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-11-4-3-5-13(10-11)14(15(17)18-2)12-6-8-16-9-7-12;/h3-5,10,12,14,16H,6-9H2,1-2H3;1H
InChIKeyCSSCKCIOXGFCNC-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.67
Rot. Bonds3

About methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride

methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride (PubChem CID 154843186) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride
PubChem CID154843186
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Namemethyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride
SMILESCOC(=O)C(c1cccc(C)c1)C1CCNCC1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-11-4-3-5-13(10-11)14(15(17)18-2)12-6-8-16-9-7-12;/h3-5,10,12,14,16H,6-9H2,1-2H3;1H
InChIKeyCSSCKCIOXGFCNC-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 119338864
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
methyl 2-[3-(bromomethyl)phenyl]-2-cyclopentylacetate
CID 21255098
N-[2-hydroxy-2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 110012074
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone
CID 82510307
methyl 2-[(1-benzoylpiperidin-4-yl)amino]-2-(3-methylphenyl)acetate
CID 50979607
N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide
CID 124689334
methyl (2S)-2-(3-chlorophenyl)-2-piperidin-2-ylacetate;hydrochloride
CID 45259428
methyl (2S)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259420

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride?
The IUPAC name of methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride (CID 154843186) is methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride.
What is the SMILES notation for methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride?
The canonical SMILES for methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride is COC(=O)C(c1cccc(C)c1)C1CCNCC1.Cl.
What is the InChIKey of methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride?
The InChIKey is CSSCKCIOXGFCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-11-4-3-5-13(10-11)14(15(17)18-2)12-6-8-16-9-7-12;/h3-5,10,12,14,16H,6-9H2,1-2H3;1H.
What are the key properties of methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride?
methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride is sourced from PubChem (CID 154843186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).