methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate

C16H22Cl2N2O2 — CID 120848191

IUPACmethyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate
SMILESCOC(=O)C(c1ccc(Cl)c(Cl)c1)N(C)CC1CCCNC1
InChIInChI=1S/C16H22Cl2N2O2/c1-20(10-11-4-3-7-19-9-11)15(16(21)22-2)12-5-6-13(17)14(18)8-12/h5-6,8,11,15,19H,3-4,7,9-10H2,1-2H3
InChIKeyYYRHUFWNLRJYSB-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.14
Rot. Bonds5

About methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate

methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate (PubChem CID 120848191) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate
PubChem CID120848191
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Namemethyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate
SMILESCOC(=O)C(c1ccc(Cl)c(Cl)c1)N(C)CC1CCCNC1
InChIInChI=1S/C16H22Cl2N2O2/c1-20(10-11-4-3-7-19-9-11)15(16(21)22-2)12-5-6-13(17)14(18)8-12/h5-6,8,11,15,19H,3-4,7,9-10H2,1-2H3
InChIKeyYYRHUFWNLRJYSB-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120847721
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815619
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 134419979
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
methyl (2S)-2-(3,4-dichlorophenyl)-2-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylamino]acetate
CID 52513333
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
CID 80555688
1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 120849617
methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate
CID 117028837

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate (CID 120848191) is methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate is COC(=O)C(c1ccc(Cl)c(Cl)c1)N(C)CC1CCCNC1.
What is the InChIKey of methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate?
The InChIKey is YYRHUFWNLRJYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-20(10-11-4-3-7-19-9-11)15(16(21)22-2)12-5-6-13(17)14(18)8-12/h5-6,8,11,15,19H,3-4,7,9-10H2,1-2H3.
What are the key properties of methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate?
methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate has a molecular weight of 345.27 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate is sourced from PubChem (CID 120848191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).