methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate

C16H23NO3 — CID 59744225

IUPACmethyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate
SMILESCOC(=O)C(OC)c1cccc(N2CCC(C)CC2)c1
InChIInChI=1S/C16H23NO3/c1-12-7-9-17(10-8-12)14-6-4-5-13(11-14)15(19-2)16(18)20-3/h4-6,11-12,15H,7-10H2,1-3H3
InChIKeyFCFPCZOEILKWEF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.78
Rot. Bonds4

About methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate

methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate (PubChem CID 59744225) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate
PubChem CID59744225
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate
SMILESCOC(=O)C(OC)c1cccc(N2CCC(C)CC2)c1
InChIInChI=1S/C16H23NO3/c1-12-7-9-17(10-8-12)14-6-4-5-13(11-14)15(19-2)16(18)20-3/h4-6,11-12,15H,7-10H2,1-3H3
InChIKeyFCFPCZOEILKWEF-UHFFFAOYSA-N
XLogP2.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
CID 117415412
2-methoxy-2-[3-(3-methoxyazetidin-1-yl)phenyl]acetic acid
CID 129161428
3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
CID 119892250
3-(4-methylpiperidin-1-yl)benzaldehyde
CID 84758563
lithium 2-[3-(3,3-difluoroazetidin-1-yl)phenyl]-2-methoxyacetate
CID 129161458
methyl 2-amino-3-(4-methylpiperidin-1-yl)benzoate
CID 113332380
(2S,5R)-5-(aminomethyl)-N-[3-(4-methylpiperidin-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120800987
2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide
CID 120597159
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate
CID 170961786
1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea
CID 97253655
(5-methyl-2-propan-2-ylcyclohexyl) 2-(3-aminophenyl)-2-methoxyacetate
CID 174669057

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate?
The IUPAC name of methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate (CID 59744225) is methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate?
The canonical SMILES for methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate is COC(=O)C(OC)c1cccc(N2CCC(C)CC2)c1.
What is the InChIKey of methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate?
The InChIKey is FCFPCZOEILKWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-7-9-17(10-8-12)14-6-4-5-13(11-14)15(19-2)16(18)20-3/h4-6,11-12,15H,7-10H2,1-3H3.
What are the key properties of methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate?
methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2-[3-(4-methylpiperidin-1-yl)phenyl]acetate is sourced from PubChem (CID 59744225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).