Basic information
- CAS
1241-64-1- Standard SMILES
CCC(C)C(C#N)(CCN1CCCCC1)c1cccc2ccccc12- InChIKey
MQWPYMFATWMENV-UHFFFAOYSA-N- Molecular formula
- C23H30N2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.24089897
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-sec-butyl-alpha-(2-piperidinoethyl)-
- IUPAC
- 3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentanenitrile
- English name
- α-(1-Methylpropyl)-α-(2-piperidinoethyl)-1-naphthaleneacetonitrile
- Molecular formula
- C23H30N2
- Molecular weight
- 334.4977
Names & synonyms
BRN 13529511241-64-1alpha-sec-Butyl-alpha-(2-piperidinoethyl)-1-naphthaleneacetonitrile5-20-03-00086 (Beilstein Handbook Reference)1-NAPHTHALENEACETONITRILE, alpha-sec-BUTYL-alpha-(2-PIPERIDINOETHYL)-RefChem:2322353-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentanenitrilealpha-(1-Methylpropyl)-alpha-(2-piperidinoethyl)-1-naphthaleneacetonitrileDTXSID609247333-methyl-2-(naphthalen-1-yl)-2-[2-(piperidin-1-yl)ethyl]pentanenitrile3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl) pentanenitrileα-(1-Methylpropyl)-α-(2-piperidinoethyl)-1-naphthaleneacetonitrile
Database identifiers
- CAS
1241-64-1- PubChem CID
- 14712
- DTXSID
DTXSID60924733- Nikkaji
- J40.730E
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…