Basic information
- CAS
16019-85-5- Standard SMILES
Nc1cccnc1N1CCC(c2ccccc2)CC1- InChIKey
SYNLRHKAAZZRKZ-UHFFFAOYSA-N- Molecular formula
- C16H19N3
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.15789762
Names & identifiers
- Preferred name
- 1-(3-Amino-2-pyridyl)-4-phenyl-piperidine
- IUPAC
- 2-(4-phenylpiperidin-1-yl)pyridin-3-amine
- English name
- 2-(4-Phenyl-1-piperidinyl)-3-pyridinamine
- Molecular formula
- C16H19N3
- Molecular weight
- 253.34
Names & synonyms
Piperidine, 1-(3-amino-2-pyridyl)-4-phenyl-1-(3-Amino-2-pyridyl)-4-phenylpiperidine4-Phenyl-1-(3-amino-2-pyridyl)piperidine4BRW2L2X9XNSC 147916UNII-4BRW2L2X9XNSC-1479161-(3-Amino-2-pyridyl)-4-phenyl-piperidineDTXSID601668333-PYRIDINAMINE, 2-(4-PHENYL-1-PIPERIDINYL)-RefChem:196931DTXCID3089324
Show more names
2-(4-phenylpiperidin-1-yl)pyridin-3-amine16019-85-52-(4-Phenyl-1-piperidinyl)-3-pyridinamineNSC147916starbld0022982CHEMBL3438371MFCD01701520STL239210
Database identifiers
- CAS
16019-85-5- PubChem CID
- 98557
- DTXSID
DTXSID60166833- ChEMBL
CHEMBL3438371- UNII
- 4BRW2L2X9X
- Nikkaji
- J50.643E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 457.3 · 457.3±45.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 9.6 · 9.60±0.29(Predicted)
- FDA UNII
- 4 BRW2L2X9X · 4BRW2L2X9X
Chemistry & industry
Suppliers2 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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