methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate

C14H20N2O3 — CID 61307094

IUPACmethyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate
SMILESCOC(=O)c1cc(OC2CCN(C)CC2)ccc1N
InChIInChI=1S/C14H20N2O3/c1-16-7-5-10(6-8-16)19-11-3-4-13(15)12(9-11)14(17)18-2/h3-4,9-10H,5-8,15H2,1-2H3
InChIKeyZHDNZXIEUJYQRV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.53
Rot. Bonds3

About methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate

methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate (PubChem CID 61307094) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate
PubChem CID61307094
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate
SMILESCOC(=O)c1cc(OC2CCN(C)CC2)ccc1N
InChIInChI=1S/C14H20N2O3/c1-16-7-5-10(6-8-16)19-11-3-4-13(15)12(9-11)14(17)18-2/h3-4,9-10H,5-8,15H2,1-2H3
InChIKeyZHDNZXIEUJYQRV-UHFFFAOYSA-N
XLogP1.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341710
methyl 2-amino-5-methoxybenzoate
CID 13052275
(1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate
CID 61284955
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382
1-(2-amino-5-cyclohexyloxyphenyl)ethanone
CID 113433081
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
2-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107279600
methyl 2-amino-5-cyclobutylbenzoate
CID 107367727
methyl 2-amino-5-(cyclopropylamino)benzoate
CID 61311715

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate?
The IUPAC name of methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate (CID 61307094) is methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate.
What is the SMILES notation for methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate?
The canonical SMILES for methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate is COC(=O)c1cc(OC2CCN(C)CC2)ccc1N.
What is the InChIKey of methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate?
The InChIKey is ZHDNZXIEUJYQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16-7-5-10(6-8-16)19-11-3-4-13(15)12(9-11)14(17)18-2/h3-4,9-10H,5-8,15H2,1-2H3.
What are the key properties of methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate?
methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate has a molecular weight of 264.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate is sourced from PubChem (CID 61307094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).