Basic information
- CAS
534-84-9- Standard SMILES
O=C1CCCCC1CN1CCCCC1- InChIKey
PRFPQYGTPKDLHJ-UHFFFAOYSA-N- Molecular formula
- C12H21NO
- Average molar mass
- 195.3 g/mol
- Monoisotopic mass
- 195.16231429
Overview
Pimeclone is a member of piperidines.
Names & identifiers
- Preferred name
- Pimeclone
- IUPAC
- 2-(piperidin-1-ylmethyl)cyclohexan-1-one
- English name
- Pimeclone
- Molecular formula
- C12H21NO
- Molecular weight
- 195.3
Names & synonyms
PimecloneNA-662-(Piperidinomethyl)cyclohexanone2-(1-Piperidinylmethyl)cyclohexanoneNU-582pimeclonaPimeclone [INN:DCF]DTXSID5046194UNII-F0PVL84ZWRF0PVL84ZWRCyclohexanone, 2-(1-piperidinylmethyl)-PIMECLONE [INN]
Show more names
2-(piperidin-1-ylmethyl)cyclohexan-1-one
PIMECLONE [MI]NU 582PIMECLONE [WHO-DD]DTXCID3026194CYCLOHEXANONE, 2-(PIPERIDINOMETHYL)-pimeclonumRefChem:174274PRFPQYGTPKDLHJ-UHFFFAOYSA-N
Database identifiers
- CAS
534-84-9、6966-09-2- PubChem CID
- 197861
- DTXSID
DTXSID5046194- ChEMBL
CHEMBL2005520- ChEBI
CHEBI:134854- UNII
- F0PVL84ZWR
- Nikkaji
- J6.341J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 14 · bp14 118-120°; bp6 124°
- Density
- 0.9628 · 0.9628 (rough estimate)
- refractive index
- 1.4596 · 1.4596 (estimate)
- pka
- 9.03 · 9.03±0.10(Predicted)
- FDA UNII
- 0 PVL84ZWR · F0PVL84ZWR
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationCyclohexanone, 2-(1-piperidinylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Additional notes
DefinitionChEBI: Pimeclone is a member of piperidines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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