Basic information
- CAS
42438-18-6- Standard SMILES
CCCCCOc1ccc(NC(=O)OC(C)C[NH+]2CCCCC2)cc1.[Cl-]- InChIKey
LFNHNYZMDSIVNW-UHFFFAOYSA-N- Molecular formula
- C20H33ClN2O3
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.2179706
Names & identifiers
- Preferred name
- Carbamic acid, (4-(pentyloxy)phenyl)-, 1-methyl-2-(1-piperidinyl)ethyl ester, monohydrochloride
- IUPAC
- 1-piperidin-1-ium-1-ylpropan-2-yl N-(4-pentoxyphenyl)carbamate chloride
Names & synonyms
42438-18-6(4-(Pentyloxy)phenyl)carbamic acid 1-methyl-2-(1-piperidinyl)ethyl ester hydrochlorideCarbamic acid, (4-(pentyloxy)phenyl)-, 1-methyl-2-(1-piperidinyl)ethyl ester, monohydrochlorideCarbanilic acid, p-pentyloxy-, 1-methyl-2-(1-piperidinyl)ethyl ester, hydrochlorideRefChem:332106CARBAMIC ACID,[1-(2-CHLORO-4-PYRIMIDINYL)-4-PIPERIDINYL]-, 1,1-DIMETHYLETHYL ESTER (9CI)
Database identifiers
- CAS
42438-18-6- PubChem CID
- 39207
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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