(1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate

C14H20N2O2 — CID 61284955

IUPAC(1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate
SMILESCc1ccc(N)c(C(=O)OC2CCN(C)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-13(15)12(9-10)14(17)18-11-5-7-16(2)8-6-11/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyKMBJHLMHFJXLTO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.83
Rot. Bonds2

About (1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate

(1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate (PubChem CID 61284955) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate
PubChem CID61284955
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate
SMILESCc1ccc(N)c(C(=O)OC2CCN(C)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-13(15)12(9-10)14(17)18-11-5-7-16(2)8-6-11/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyKMBJHLMHFJXLTO-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-methylpiperidin-4-yl) 3-amino-2-hydroxybenzoate
CID 113386626
(1-methylpiperidin-4-yl) 3-methylbenzoate chloride
CID 53347537
(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate
CID 104783906
methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate
CID 61307094
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 65456589
iodo 2-amino-5-methylbenzoate
CID 174945201
(1-methylpiperidin-4-yl) 2-amino-3-chlorobenzoate
CID 113333484
(2-oxooxolan-3-yl) 2-amino-5-methylbenzoate
CID 60768740
(1-methylpiperidin-4-yl) 4-amino-3-nitrobenzoate
CID 60717309
(1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate
CID 115950808
cyclopentyl 2-amino-5-fluorobenzoate
CID 61278608
(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916408

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate?
The IUPAC name of (1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate (CID 61284955) is (1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate is Cc1ccc(N)c(C(=O)OC2CCN(C)CC2)c1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate?
The InChIKey is KMBJHLMHFJXLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-4-13(15)12(9-10)14(17)18-11-5-7-16(2)8-6-11/h3-4,9,11H,5-8,15H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate?
(1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate has a molecular weight of 248.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate is sourced from PubChem (CID 61284955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).