2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate

C15H21ClN2O2 — CID 107913336

IUPAC2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate
SMILESCN1CCCCC1CCOC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H21ClN2O2/c1-18-8-3-2-4-12(18)7-9-20-15(19)13-6-5-11(16)10-14(13)17/h5-6,10,12H,2-4,7-9,17H2,1H3
InChIKeyLTVIMOHSPZUAEA-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.95
Rot. Bonds4

About 2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate

2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate (PubChem CID 107913336) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate
PubChem CID107913336
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate
SMILESCN1CCCCC1CCOC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H21ClN2O2/c1-18-8-3-2-4-12(18)7-9-20-15(19)13-6-5-11(16)10-14(13)17/h5-6,10,12H,2-4,7-9,17H2,1H3
InChIKeyLTVIMOHSPZUAEA-UHFFFAOYSA-N
XLogP2.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.95
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 5-amino-2,4-dimethylbenzoate
CID 107913432
2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate
CID 107913411
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
CID 107913430
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
propyl 2-amino-4-chlorobenzoate
CID 28690133
2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
CID 104934308
methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate
CID 61140064
2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate
CID 118218591
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
CID 107913384
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
2-(1-methylpyrrolidin-2-yl)ethyl N-[4-chloro-2-(3,5-difluorophenyl)phenyl]carbamate
CID 121425433

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate?
The IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate (CID 107913336) is 2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate is CN1CCCCC1CCOC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate?
The InChIKey is LTVIMOHSPZUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18-8-3-2-4-12(18)7-9-20-15(19)13-6-5-11(16)10-14(13)17/h5-6,10,12H,2-4,7-9,17H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate?
2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate has a molecular weight of 296.80 g/mol, XLogP of 2.95, 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 2-amino-4-chlorobenzoate is sourced from PubChem (CID 107913336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).