3-(2-Methylpiperidin-1-yl)propyl 4-(propan-2-yl)benzoate

HCID 45255

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Basic information

CAS: 63916-93-8
Standard SMILES: CC(C)c1ccc(C(=O)OCCCN2CCCCC2C)cc1
InChIKey: TZWVMGRCJXLVLO-UHFFFAOYSA-N
Molecular formula: C19H29NO2
Average molar mass: 303.4 g/mol
Monoisotopic mass: 303.21982917

Names & identifiers

Preferred name: 3-(2-Methylpiperidin-1-yl)propyl 4-(propan-2-yl)benzoate
IUPAC: 3-(2-methylpiperidin-1-yl)propyl 4-propan-2-ylbenzoate
English name: 3-(2-Methylpiperidino)propyl=p-isopropylbenzoate
Molecular formula: C19H29NO2
Molecular weight: 303.44

Names & synonyms

63916-93-8DTXSID809810403-(2-methylpiperidin-1-yl)propyl 4-(propan-2-yl)benzoateRefChem:1066580DTXCID3014083133-(2'-Methylpiperidino)propyl p-isopropylbenzoateBENZOIC ACID, p-ISOPROPYL-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER3-(2-Methylpiperidino)propyl=p-isopropylbenzoateBenzoic acid, 4-(1-methylethyl)-, 3-(2-methyl-1-piperidinyl)propyl ester

Database identifiers

CAS: 63916-93-8
PubChem CID: 45255
DTXSID: DTXSID80981040
Nikkaji: J83.442D

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 334

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