m-Trifluoromethylphenyl 1-amidino-4-piperidinepropionate hydrochloride
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Basic information
- Standard SMILES
Cl.N=C(N)N1CCC(CCC(=O)Oc2cccc(C(F)(F)F)c2)CC1- InChIKey
XPGBCUVKOGVMTI-UHFFFAOYSA-N- Molecular formula
- C16H21ClF3N3O2
- Average molar mass
- 379.8 g/mol
Names & identifiers
- Preferred name
- m-Trifluoromethylphenyl 1-amidino-4-piperidinepropionate hydrochloride
- IUPAC
- [3-(trifluoromethyl)phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate;hydrochloride
Names & synonyms
m-trifluoromethylphenyl 1-amidino-4-piperidinepropionate hydrochlorideSCHEMBL11081448
Database identifiers
- PubChem CID
- 70508313
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
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Related reactions
1 records
Compound notes
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