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4-Methyl-alpha,alpha-diphenyl-1-piperazineethanol

HCID 88951
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
21579-78-2
Standard SMILES
CN1CCN(CC(O)(c2ccccc2)c2ccccc2)CC1
InChIKey
BNYKNAMROLCQRS-UHFFFAOYSA-N
Molecular formula
C19H24N2O
Average molar mass
296.4 g/mol
Monoisotopic mass
296.18886339

Names & identifiers

Preferred name
4-Methyl-alpha,alpha-diphenyl-1-piperazineethanol
IUPAC
2-(4-methylpiperazin-1-yl)-1,1-diphenylethanol
English name
2-(4-methylpiperazin-1-yl)-1,1-diphenylethanol
Molecular formula
C19H24N2O
Molecular weight
296.41

Names & synonyms

21579-78-21-Piperazineethanol, alpha,alpha-diphenyl-4-methyl-DTXSID00175929RefChem:1071122DTXCID50984204-Methyl-alpha,alpha-diphenyl-1-piperazineethanol244-453-42-(4-Methylpiperazin-1-yl)-1,1-diphenylethanolZDEalpha,alpha-Diphenyl-4-methyl-1-piperazineethanolEINECS 244-453-4BRN 0266895
Show more names
α,α-Diphenyl-4-methyl-1-piperazineethanol1-Piperazineethanol, 4-methyl-α,α-diphenyl-
Oprea1_7054842-(4-Methylpiperazin-1-yl)-1,1-diphenylethan-1-olSCHEMBL11884527BNYKNAMROLCQRS-UHFFFAOYSA-NNS000269091,1-Diphenyl-2(N-methyl-N'-piperazino) ethanol4-23-00-00165 (Beilstein Handbook Reference)

Database identifiers

CAS
21579-78-2
PubChem CID
88951
DTXSID
DTXSID00175929
EC Number
244-453-4
Nikkaji
J153.493I

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
26.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
308

Physicochemical properties

EWG's Food Scores
1 · 1
Toxicity
50 intraperitoneal · LD50 intraperitoneal in mouse: 100mg/kg

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Toxicity
LD50 intraperitoneal in mouse: 100mg/kg

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes