[(1-Benzyl-piperidin-4-ylmethyl)-cyclopropyl-amino]-acetic acid
Basic information
- CAS
1353965-43-1- Standard SMILES
O=C(O)CN(CC1CCN(Cc2ccccc2)CC1)C1CC1- InChIKey
BWABOEZDJUTTKJ-UHFFFAOYSA-N- Molecular formula
- C18H26N2O2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.19942808
Names & identifiers
- Preferred name
- [(1-Benzyl-piperidin-4-ylmethyl)-cyclopropyl-amino]-acetic acid
- IUPAC
- 2-[(1-benzylpiperidin-4-yl)methyl-cyclopropylamino]acetic acid
- English name
- [(1-Benzyl-piperidin-4-ylMethyl)-cyclopropyl-aMino]-acetic acid
- Molecular formula
- C18H26N2O2
- Molecular weight
- 302.41
Names & synonyms
1353965-43-1[(1-Benzyl-piperidin-4-ylmethyl)-cyclopropyl-amino]-acetic acid2-(((1-Benzylpiperidin-4-yl)methyl)(cyclopropyl)amino)acetic acid2-[(1-benzylpiperidin-4-yl)methyl-cyclopropylamino]acetic acidDTXSID201164198DB-248330N-[(1-Benzylpiperidin-4-yl)methyl]-N-cyclopropylglycine2-[(1-benzyl-4-piperidyl)methyl-cyclopropyl-amino]acetic acid2-(((1-Benzylpiperidin-4-yl)methyl)(cyclopropyl)amino)aceticacidGlycine, N-cyclopropyl-N-[[1-(phenylmethyl)-4-piperidinyl]methyl]-
Database identifiers
- CAS
1353965-43-1- PubChem CID
- 66565017
- DTXSID
DTXSID201164198
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 451.7 · 451.7±25.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 2.33 · 2.33±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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