Basic information
- CAS
5275-02-5- Standard SMILES
O=C(c1c[nH]c2ccccc12)C1CCNCC1- InChIKey
CKXVQPZQTVVCCB-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626313
Names & identifiers
- Preferred name
- Ketone, 3-indolyl 4-piperidyl
- IUPAC
- 1H-indol-3-yl(piperidin-4-yl)methanone
- English name
- 1H-Indol-3-yl(4-piperidyl) ketone
- Molecular formula
- C14H16N2O
- Molecular weight
- 228.29
Names & synonyms
3-Isonipecotylindole5275-02-5KETONE, 3-INDOLYL 4-PIPERIDYLBRN 1576326DTXSID702007325-24-03-00564 (Beilstein Handbook Reference)RefChem:350414DTXCID00123223(1H-Indol-3-yl)(piperidin-4-yl)methanone1H-indol-3-yl(piperidin-4-yl)methanoneCHEMBL40480AKOS009264761
Show more names
1H-Indol-3-yl(4-piperidyl) ketone3-(piperidine-4-carbonyl)-1H-indole1H-indol-3-yl-4-piperidinylmethanoneMethanone, 1H-indol-3-yl-4-piperidinyl-
DA-29349
Database identifiers
- CAS
5275-02-5- PubChem CID
- 21344
- DTXSID
DTXSID70200732- ChEMBL
CHEMBL40480- Nikkaji
- J62.517E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 218 °C · 218 °C
- Boiling point
- 370.1 °C · 370.1°C (rough estimate)
- Density
- 1.0604 · 1.0604 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 15.42 · 15.42±0.30(Predicted)
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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