methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate

C16H22ClNO2 — CID 52944830

IUPACmethyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1cccc(Cl)c1)[C@@]1(C)CCCCN1C
InChIInChI=1S/C16H22ClNO2/c1-16(9-4-5-10-18(16)2)14(15(19)20-3)12-7-6-8-13(17)11-12/h6-8,11,14H,4-5,9-10H2,1-3H3/t14-,16+/m0/s1
InChIKeyLGJXZANJNBVJHU-GOEBONIOSA-N
MW295.81 g/mol
LogP3.47
Rot. Bonds3

About methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate

methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate (PubChem CID 52944830) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate
PubChem CID52944830
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Namemethyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1cccc(Cl)c1)[C@@]1(C)CCCCN1C
InChIInChI=1S/C16H22ClNO2/c1-16(9-4-5-10-18(16)2)14(15(19)20-3)12-7-6-8-13(17)11-12/h6-8,11,14H,4-5,9-10H2,1-3H3/t14-,16+/m0/s1
InChIKeyLGJXZANJNBVJHU-GOEBONIOSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate (CID 52944830) is methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate is COC(=O)[C@H](c1cccc(Cl)c1)[C@@]1(C)CCCCN1C.
What is the InChIKey of methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate?
The InChIKey is LGJXZANJNBVJHU-GOEBONIOSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-16(9-4-5-10-18(16)2)14(15(19)20-3)12-7-6-8-13(17)11-12/h6-8,11,14H,4-5,9-10H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate?
methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate has a molecular weight of 295.81 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3-chlorophenyl)-2-[(2R)-1,2-dimethylpiperidin-2-yl]acetate is sourced from PubChem (CID 52944830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).