Basic information
- CAS
1532-04-3- Standard SMILES
CC(C)CC(=O)OC1CCC(N2CCCCC2)CC1- InChIKey
IRYRSABDVVIVBD-UHFFFAOYSA-N- Molecular formula
- C16H29NO2
- Average molar mass
- 267.41 g/mol
- Monoisotopic mass
- 267.21982917
Names & identifiers
- Preferred name
- Isovaleric acid, 4-piperidinocyclohexyl ester
- IUPAC
- (4-piperidin-1-ylcyclohexyl) 3-methylbutanoate
- English name
- 4-Piperidinocyclohexanol isovalerate
- Molecular weight
- 0
Names & synonyms
ISOVALERIC ACID, 4-PIPERIDINOCYCLOHEXYL ESTER1532-04-3BRN 1575264Cyclohexanol, 4-piperidino-, isovalerate4-Piperidinocyclohexyl ester of isovaleric acidDTXSID10165275RefChem:350188DTXCID7087766(4-piperidin-1-ylcyclohexyl) 3-methylbutanoate4-Piperidinocyclohexanol isovalerate4-(PIPERIDIN-1-YL)CYCLOHEXYL 3-METHYLBUTANOATE
Database identifiers
- CAS
1532-04-3- PubChem CID
- 15225
- DTXSID
DTXSID10165275- Nikkaji
- J94.654K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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