2-(Piperidin-1-yl)ethyl hydrogen (3-chlorophenyl)carbonimidate--hydrogen chloride (1/1)
Basic information
- CAS
20229-05-4- Standard SMILES
Cl.O=C(Nc1cccc(Cl)c1)OCCN1CCCCC1- InChIKey
ZTXPMHYRQVZZFM-UHFFFAOYSA-N- Molecular formula
- C14H20Cl2N2O2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0901833
Names & identifiers
- Preferred name
- 2-(Piperidin-1-yl)ethyl hydrogen (3-chlorophenyl)carbonimidate--hydrogen chloride (1/1)
- IUPAC
- 2-piperidin-1-ylethyl N-(3-chlorophenyl)carbamate;hydrochloride
Names & synonyms
DTXSID0094233020229-05-42-(Piperidin-1-yl)ethyl hydrogen (3-chlorophenyl)carbonimidate--hydrogen chloride (1/1)RefChem:1062015DTXCID001370737m-Chlorocarbanilic acid 2-piperidinoethyl ester hydrochlorideK 498Carbanilic acid, m-chloro-, 2-piperidinoethyl ester, hydrochloride
Database identifiers
- CAS
20229-05-4- PubChem CID
- 209709
- DTXSID
DTXSID00942330
Properties
Computed structural properties
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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