Basic information
- CAS
2977-24-4- Standard SMILES
NC(=O)C(CCN1CCCCC1)(CCN1CCCCC1)c1ccccc1- InChIKey
TXSYVXMEIWQHCF-UHFFFAOYSA-N- Molecular formula
- C22H35N3O
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.27801275
Names & identifiers
- Preferred name
- Butyramide, 2-phenyl-4-piperidino-2-(2-piperidinoethyl)-
- IUPAC
- 2-phenyl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butanamide
- English name
- α-Phenyl-α-(2-piperidinoethyl)-1-piperidinebutyramide
- Molecular formula
- C22H35N3O
- Molecular weight
- 357.54
Names & synonyms
BUTYRAMIDE, 2-PHENYL-4-PIPERIDINO-2-(2-PIPERIDINOETHYL)-2977-24-4BRN 0310088alpha,alpha-Bis(2-piperidinoethyl)phenylacetamideDTXSID701839154-20-00-01267 (Beilstein Handbook Reference)RefChem:331168DTXCID101064062-phenyl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butanamide2-phenyl-4-(piperidin-1-yl)-2-[2-(piperidin-1-yl)ethyl]butanamide2-phenyl-4-(1-piperidinyl)-2-[2-(1-piperidinyl)ethyl]butanamideα-Phenyl-α-(2-piperidinoethyl)-1-piperidinebutyramide
Show more names
1-Piperidinebutanamide, α-phenyl-α-[2-(1-piperidinyl)ethyl]-
Database identifiers
- CAS
2977-24-4- PubChem CID
- 18112
- DTXSID
DTXSID70183915- Nikkaji
- J42.770E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 116.5 · 116.5-117.5 °C
- Boiling point
- 549.5 · 549.5±50.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- 16.16 · 16.16±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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