methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate

C15H21ClN2O3 — CID 107197723

IUPACmethyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate
SMILESCOC(=O)c1cc(N)cc(Cl)c1OCCN1CCCCC1
InChIInChI=1S/C15H21ClN2O3/c1-20-15(19)12-9-11(17)10-13(16)14(12)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
InChIKeyRNFIORCFUKBQJX-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.57
Rot. Bonds5

About methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate

methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate (PubChem CID 107197723) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate.

Molecular Properties

Compound Namemethyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate
PubChem CID107197723
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Namemethyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate
SMILESCOC(=O)c1cc(N)cc(Cl)c1OCCN1CCCCC1
InChIInChI=1S/C15H21ClN2O3/c1-20-15(19)12-9-11(17)10-13(16)14(12)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
InChIKeyRNFIORCFUKBQJX-UHFFFAOYSA-N
XLogP2.57
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.57
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

3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
methyl 5-amino-3-chloro-2-pentoxybenzoate
CID 107197652
methyl 5-amino-3-chloro-2-(2-cyclobutylethoxy)benzoate
CID 106203449
methyl 2,4-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 67768456
methyl 5-amino-3-chloro-2-(2-ethoxyethoxy)benzoate
CID 107197296
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
methyl 5-amino-3-chloro-2-(1-methoxypropan-2-yloxy)benzoate
CID 107197921
3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 18327476
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833
3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 22687308
5-chloro-6-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 114046391

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate?
The IUPAC name of methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate (CID 107197723) is methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate.
What is the SMILES notation for methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate?
The canonical SMILES for methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate is COC(=O)c1cc(N)cc(Cl)c1OCCN1CCCCC1.
What is the InChIKey of methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate?
The InChIKey is RNFIORCFUKBQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-20-15(19)12-9-11(17)10-13(16)14(12)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3.
What are the key properties of methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate?
methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate has a molecular weight of 312.80 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate is sourced from PubChem (CID 107197723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).