4-Piperidinecarbonitrile, 1-(2-methoxyethyl)-
Basic information
- CAS
173974-82-8- Standard SMILES
COCCN1CCC(C#N)CC1- InChIKey
LDTPFKDDGGOITL-UHFFFAOYSA-N- Molecular formula
- C9H16N2O
- Average molar mass
- 168.24 g/mol
- Monoisotopic mass
- 168.12626314
Names & identifiers
- Preferred name
- 4-Piperidinecarbonitrile, 1-(2-methoxyethyl)-
- IUPAC
- 1-(2-methoxyethyl)piperidine-4-carbonitrile
Names & synonyms
173974-82-84-Piperidinecarbonitrile, 1-(2-methoxyethyl)-RefChem:2955941-(2-methoxyethyl)piperidine-4-carbonitrileDTXSID401252022MFCD11934584AKOS011355442H28186A1-06139
Database identifiers
- CAS
173974-82-8- PubChem CID
- 39236243
- DTXSID
DTXSID401252022
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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