2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile
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Basic information
- CAS
2828-06-0- Standard SMILES
CCC(C#N)(CCN1CCCCC1)c1cccc2ccccc12- InChIKey
OBLJBUXADXHZIZ-UHFFFAOYSA-N- Molecular formula
- C21H26N2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.20959884
Names & identifiers
- Preferred name
- 2-Ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrile
- IUPAC
- 2-ethyl-2-naphthalen-1-yl-4-piperidin-1-ylbutanenitrile
- English name
- α-Ethyl-α-(2-piperidinoethyl)-1-naphthaleneacetonitrile
- Molecular formula
- C21H26N2
- Molecular weight
- 306.44454
Names & synonyms
2828-06-02-ethyl-2-(naphthalen-1-yl)-4-(piperidin-1-yl)butanenitrileDTXSID90950984RefChem:1063019DTXCID101379120BRN 1352629alpha-Ethyl-alpha-(2-piperidinoethyl)-1-naphthaleneacetonitrile1-NAPHTHALENEACETONITRILE, alpha-ETHYL-alpha-(2-PIPERIDINOETHYL)-SCHEMBL10567347α-Ethyl-α-(2-piperidinoethyl)-1-naphthaleneacetonitrile
Database identifiers
- CAS
2828-06-0- PubChem CID
- 17807
- DTXSID
DTXSID90950984- Nikkaji
- J42.413G
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
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Compound notes
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