Co-101244
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Basic information
- CAS
193359-26-1- Standard SMILES
Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1- InChIKey
VKMFDKYCIKEDMR-UHFFFAOYSA-N- Molecular formula
- C21H27NO3
- Average molar mass
- 341.4 g/mol
Overview
1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]-4-piperidinol is a member of piperidines.
Names & identifiers
- Preferred name
- Co-101244
- IUPAC
- 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol
- English name
- 1-[2-(4-Hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]-4-piperidinol monohydrochloride
- Molecular formula
- C21H27NO3
- Molecular weight
- 341.44
Names & synonyms
193359-26-1Co 101244Co-101244Q85IYK36S4PD-174494RO-63-19081-(2-(4-Hydroxyphenoxy)ethyl)-4-((4-methylphenyl)methyl)-4-piperidinol4-Piperidinol, 1-(2-(4-hydroxyphenoxy)ethyl)-4-((4-methylphenyl)methyl)-1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]-4-piperidinolRefChem:2002241-(2-(4-hydroxyphenoxy)ethyl)-4-(4-methylbenzyl)piperidin-4-olCHEMBL317229
Show more names
184832CO-101244 Free BaseCO 101244 HYDROCHLORIDE4-Piperidinol, 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-Methylphenyl)Methyl]-1-[2-(4-Hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]-4-piperidinolhydrochloride
NCGC00161413-011-[2-(4-HYDROXYPHENOXY)ETHYL]-4-[(4-METHYLPHENYL)METHYL]-4-PIPERIDINOL MONOHYDROCHLORIDEUNII-Q85IYK36S4SCHEMBL499394orb1739425CHEBI:92975BDBM50079385Pd 174494
Database identifiers
- CAS
193359-26-1- PubChem CID
- 6918409
- ChEMBL
CHEMBL317229- ChEBI
CHEBI:92975- UNII
- Q85IYK36S4
- Nikkaji
- J1.159.588J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 527.9 · 527.9±45.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- pka
- 10.31 · 10.31±0.15(Predicted)
- FDA UNII
- 85 IYK36S4 · Q85IYK36S4
Chemistry & industry
Applications
UsesCo 101244 is a highly selective N-methyl-D-aspartate NR2B subtype antagonist.
Related reactions
2 records
Compound notes
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