2-Amino-3-phenyl-1-(piperidin-1-yl)propan-1-one
Basic information
- CAS
29618-19-7- Standard SMILES
NC(Cc1ccccc1)C(=O)N1CCCCC1- InChIKey
IZPOHNAFLAXBCQ-UHFFFAOYSA-N- Molecular formula
- C14H20N2O
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.15756327
Names & identifiers
- Preferred name
- 2-Amino-3-phenyl-1-(piperidin-1-yl)propan-1-one
- IUPAC
- 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one
- English name
- (S)-2-amino-3-phenyl-1-(piperidin-1-yl)propan-1-one
- Molecular formula
- C14H20N2O
- Molecular weight
- 232.32
Names & synonyms
2-amino-3-phenyl-1-(piperidin-1-yl)propan-1-one29618-19-7DTXSID50388567RefChem:255400DTXCID003395442-amino-3-phenyl-1-piperidin-1-ylpropan-1-one2-amino-3-phenyl-1-piperidylpropan-1-one2-amino-3-phenyl-1-(1-piperidinyl)-1-Propanone(2S)-2-Amino-3-Phenyl-1-(Piperidin-1-Yl)Propan-1-OneSCHEMBL1039399CHEMBL1740628IZPOHNAFLAXBCQ-UHFFFAOYSA-N
Show more names
1-Propanone, 2-amino-3-phenyl-1-(1-piperidinyl)-(S)-2-amino-3-phenyl-1-(piperidin-1-yl)propan-1-one
EBA61819SBB002497STK682536AKOS000204885AKOS016347415NCGC00245901-01ST073811DB-068137
Database identifiers
- CAS
29618-19-7、93865-37-3- PubChem CID
- 3022752
- DTXSID
DTXSID50388567- ChEMBL
CHEMBL1740628
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 410.8 · 410.8±38.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- pka
- 8.31 · 8.31±0.33(Predicted)
- CAS DataBase Reference
- 29618 · 29618-19-7
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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Compound notes
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