2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate

C17H26N2O2 — CID 107913432

IUPAC2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCCC2CCCCN2C)cc1N
InChIInChI=1S/C17H26N2O2/c1-12-10-13(2)16(18)11-15(12)17(20)21-9-7-14-6-4-5-8-19(14)3/h10-11,14H,4-9,18H2,1-3H3
InChIKeyYMGOBKDGHAVVKS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.92
Rot. Bonds4

About 2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate

2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate (PubChem CID 107913432) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
PubChem CID107913432
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCCC2CCCCN2C)cc1N
InChIInChI=1S/C17H26N2O2/c1-12-10-13(2)16(18)11-15(12)17(20)21-9-7-14-6-4-5-8-19(14)3/h10-11,14H,4-9,18H2,1-3H3
InChIKeyYMGOBKDGHAVVKS-UHFFFAOYSA-N
XLogP2.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.92
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

2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate
CID 107913336
3-pyrrolidin-1-ylpropyl 5-amino-2,4-dimethylbenzoate
CID 102706208
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
CID 107913430
2-methoxyethyl 5-amino-2,4-dimethylbenzoate
CID 104538496
2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate
CID 107913411
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
CID 104934308
2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
CID 102706152
3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzoic acid
CID 107912359
(5-amino-2,4-dimethylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210096
2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate
CID 118218591
2-(3-methoxypropoxy)ethyl 5-amino-2,4-dimethylbenzoate
CID 103179344

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate?
The IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate (CID 107913432) is 2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate is Cc1cc(C)c(C(=O)OCCC2CCCCN2C)cc1N.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate?
The InChIKey is YMGOBKDGHAVVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-10-13(2)16(18)11-15(12)17(20)21-9-7-14-6-4-5-8-19(14)3/h10-11,14H,4-9,18H2,1-3H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate?
2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate has a molecular weight of 290.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate is sourced from PubChem (CID 107913432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).