3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate
Basic information
- CAS
63916-68-7- Standard SMILES
CCCCOc1ccc(C(=O)OCCCN2CCCCC2C)cc1- InChIKey
PGDPFMRYKOURHD-UHFFFAOYSA-N- Molecular formula
- C20H31NO3
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.23039385
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-butoxybenzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-butoxybenzoate
- Molecular formula
- C20H31NO3
- Molecular weight
- 333.46
Names & synonyms
3-(2-methylpiperidin-1-yl)propyl 4-butoxybenzoateLZX3HN0KPXBRN 026715563916-68-7UNII-LZX3HN0KPX3-(2'-Methylpiperidino)propyl p-butoxybenzoateDTXSID70981019BENZOIC ACID, p-BUTOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER4-20-00-01465 (Beilstein Handbook Reference)Benzoic acid, 4-butoxy-, 3-(2-methyl-1-piperidinyl)propyl esterRefChem:92230DTXCID901408292
Show more names
3-(2-Methylpiperidino)propyl=p-butoxybenzoate
Database identifiers
- CAS
63916-68-7- PubChem CID
- 45230
- DTXSID
DTXSID70981019- UNII
- LZX3HN0KPX
- Nikkaji
- J73.897B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- FDA UNII
- 3 HN0KPX · LZX3HN0KPX
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Related reactions
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Compound notes
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