[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
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Basic information
- CAS
423739-00-8- Standard SMILES
O=C(c1cccc2ccccc12)N1CCN(CC2CC=CCC2)CC1- InChIKey
YRBYCXIINGBQSM-UHFFFAOYSA-N- Molecular formula
- C22H26N2O
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.20451346
Names & identifiers
- Preferred name
- [4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
- IUPAC
- [4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
- English name
- 1-(3-cyclohexen-1-ylmethyl)-4-(1-naphthoyl)piperazine
- Molecular formula
- C22H26N2O
- Molecular weight
- 334.45
Names & synonyms
[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone1-(3-cyclohexen-1-ylmethyl)-4-(1-naphthoyl)piperazineOprea1_367086Oprea1_500434CHEMBL1622546STK126741AKOS000553241AKOS022086253ST45171553AK-968/410169044-(cyclohex-3-enylmethyl)piperazinyl naphthyl ketone[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl](naphthalen-1-yl)methanone
Show more names
Methanone, [4-(3-cyclohexen-1-ylmethyl)-1-piperazinyl]-1-naphthalenyl-
423739-00-8
Database identifiers
- CAS
423739-00-8- PubChem CID
- 652766
- ChEMBL
CHEMBL1622546
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 509.5 · 509.5±43.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 6.93 · 6.93±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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