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4-dimethylamino-4-phenyl-1-[3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propyl]-cyclohexanol

HCID 68632580
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(C)C1(c2ccccc2)CCC(O)(CCCc2c[nH]c3ccncc23)CC1
InChIKey
SSKBIKWFNUZLAX-UHFFFAOYSA-N
Molecular formula
C24H31N3O
Average molar mass
377.5 g/mol

Names & identifiers

Preferred name
4-dimethylamino-4-phenyl-1-[3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propyl]-cyclohexanol
IUPAC
4-(dimethylamino)-4-phenyl-1-[3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propyl]cyclohexan-1-ol

Names & synonyms

SCHEMBL3412128SSKBIKWFNUZLAX-UHFFFAOYSA-N4-dimethylamino-4-phenyl-1-[3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propyl]-cyclohexanol4-dimethylamino-4-phenyl-1-[3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propyl]cyclohexanol

Database identifiers

PubChem CID
68632580

Properties

Computed structural propertiesFilling in

XLogP
3.7
Topological polar surface area
52.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
494

Related reactions

3 records
New reaction record
HRID 2064523 reaction equation
HRID 2064523As productuspto-grants-2012_10
HRID 2064524 reaction equation
HRID 2064524As reactantuspto-grants-2012_10
HRID 2138896 reaction equation
HRID 2138896As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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