3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate
Basic information
- CAS
63916-89-2- Standard SMILES
CC1CCCCN1CCCOC(=O)c1ccc(I)cc1- InChIKey
BLAAWVPMHICNCQ-UHFFFAOYSA-N- Molecular formula
- C16H22INO2
- Average molar mass
- 387.26 g/mol
- Monoisotopic mass
- 387.06953
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-iodobenzoate
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-iodobenzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-iodobenzoate
- Molecular formula
- C16H22INO2
- Molecular weight
- 387.26
Names & synonyms
3-(2-methylpiperidin-1-yl)propyl 4-iodobenzoate63916-89-2DTXSID90981036RefChem:1066590DTXCID9014083093-(2'-Methylpiperidino)propyl p-iodobenzoateBENZOIC ACID, p-IODO-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER3-(2-Methylpiperidino)propyl=p-iodobenzoateBenzoic acid, 4-iodo-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
63916-89-2- PubChem CID
- 45251
- DTXSID
DTXSID90981036- Nikkaji
- J83.426B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
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Compound notes
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