Basic information
- CAS
41148-29-2- Standard SMILES
CCCCN1CCC[C@H](OC(=O)Nc2c(C)cccc2C)C1- InChIKey
HJSYTYDDUHMHMY-INIZCTEOSA-N- Molecular formula
- C18H28N2O2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.21507814
Names & identifiers
- Preferred name
- Carbanilic acid, 2,6-dimethyl-, 1-butyl-3-piperidyl ester, (S)-(-)-
- IUPAC
- [(3S)-1-butylpiperidin-3-yl] N-(2,6-dimethylphenyl)carbamate
- English name
- N-(2,6-Dimethylphenyl)carbamic acid [3S,(-)]-1-butyl-3-piperidinyl ester
- Molecular formula
- C18H28N2O2
- Molecular weight
- 304.43
Names & synonyms
41148-29-2CARBANILIC ACID, 2,6-DIMETHYL-, 1-BUTYL-3-PIPERIDYL ESTER, (S)-(-)-RefChem:1081046(S)-(-)-2,6-Dimethylcarbanilic acid, 1-butyl-3-piperidyl estern-(2,6-dimethylphenyl)carbamic acid [3s,(-)]-1-butyl-3-piperidinyl esterDTXSID209614621-Butylpiperidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidate(3S)-1-Butylpiperidin-3-yl hydrogen (2,6-dimethylphenyl)carbonimidate[(3S)-1-butylpiperidin-3-yl] N-(2,6-dimethylphenyl)carbamateCarbamic acid, (2,6-dimethylphenyl)-, 1-butyl-3-piperidinyl ester, (S)- (9CI)
Database identifiers
- CAS
41148-29-2- PubChem CID
- 38768
- DTXSID
DTXSID20961462- Nikkaji
- J42.837J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 376.9 · 376.9±42.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 13.59 · 13.59±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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