2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate

C15H21ClN2O2 — CID 107913411

IUPAC2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate
SMILESCN1CCCCC1CCOC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-18-6-3-2-4-14(18)5-7-20-15(19)11-8-12(16)10-13(17)9-11/h8-10,14H,2-7,17H2,1H3
InChIKeyFUFUHNKFTVQMQV-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.95
Rot. Bonds4

About 2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate

2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate (PubChem CID 107913411) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate
PubChem CID107913411
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate
SMILESCN1CCCCC1CCOC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-18-6-3-2-4-14(18)5-7-20-15(19)11-8-12(16)10-13(17)9-11/h8-10,14H,2-7,17H2,1H3
InChIKeyFUFUHNKFTVQMQV-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 2-amino-4-chlorobenzoate
CID 107913336
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
CID 107913430
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3,5-dichlorobenzoate
CID 56528622
2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
CID 107913432
2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
CID 104934308
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
CID 107913384
2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
CID 107913305
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
methyl 3-amino-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoate
CID 61305476
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzoic acid
CID 107912359
(3-amino-5-chlorophenyl)-cycloheptylmethanone
CID 116597497

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate?
The IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate (CID 107913411) is 2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate is CN1CCCCC1CCOC(=O)c1cc(N)cc(Cl)c1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate?
The InChIKey is FUFUHNKFTVQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18-6-3-2-4-14(18)5-7-20-15(19)11-8-12(16)10-13(17)9-11/h8-10,14H,2-7,17H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate?
2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-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 3-amino-5-chlorobenzoate is sourced from PubChem (CID 107913411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).