3-(2-Methylpiperidin-1-yl)propyl 4-ethoxybenzoate

HCID 45240

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Basic information

CAS: 63916-80-3
Standard SMILES: CCOc1ccc(C(=O)OCCCN2CCCCC2C)cc1
InChIKey: ZNSUNUVCVXQNKB-UHFFFAOYSA-N
Molecular formula: C18H27NO3
Average molar mass: 305.4 g/mol
Monoisotopic mass: 305.19909372

Names & identifiers

Preferred name: 3-(2-Methylpiperidin-1-yl)propyl 4-ethoxybenzoate
IUPAC: 3-(2-methylpiperidin-1-yl)propyl 4-ethoxybenzoate
English name: 3-(2-Methylpiperidino)propyl=p-ethoxybenzoate
Molecular formula: C18H27NO3
Molecular weight: 305.41

Names & synonyms

3-(2-methylpiperidin-1-yl)propyl 4-ethoxybenzoate63916-80-3DTXSID00981027RefChem:1066586DTXCID6014083003-(2'-Methylpiperidino)propyl p-ethoxybenzoateBENZOIC ACID, p-ETHOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER3-(2-Methylpiperidino)propyl=p-ethoxybenzoateBenzoic acid, 4-ethoxy-, 3-(2-methyl-1-piperidinyl)propyl ester

Database identifiers

CAS: 63916-80-3
PubChem CID: 45240
DTXSID: DTXSID00981027
Nikkaji: J83.395I

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 326

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