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Biphenyl-2-ylcarbamic acid 1-(2-aminoethyl)piperidin-4-yl ester

HCID 53319786
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
NCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIKey
NPXZKPMDXMXGDW-UHFFFAOYSA-N
Molecular formula
C20H25N3O2
Average molar mass
339.4 g/mol

Names & identifiers

Preferred name
Biphenyl-2-ylcarbamic acid 1-(2-aminoethyl)piperidin-4-yl ester
IUPAC
[1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

Names & synonyms

CHEMBL1683920biphenyl-2-ylcarbamic acid 1-(2-aminoethyl)piperidin-4-yl esterSCHEMBL266581NPXZKPMDXMXGDW-UHFFFAOYSA-NBDBM50337865DB-1297321-(2-aminoethyl)piperidin-4-yl biphenyl-2-ylcarbamate1-(2-aminoethyl)piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamatebiphenyl-2-ylcarbamic acid 1-(aminoethyl)piperidin-4-yl ester743460-61-9

Database identifiers

PubChem CID
53319786
ChEMBL
CHEMBL1683920

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
67.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Formal charge
0
Complexity
404

Related reactions

12 records
New reaction record
HRID 13856 reaction equation
HRID 13856As reactantuspto-grants-2010_06
HRID 388638 reaction equation
HRID 388638As reactantuspto-grants-2013_02
HRID 451286 reaction equation
HRID 451286As reactantuspto-grants-2013_07
HRID 687684 reaction equation
HRID 687684As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 907632 reaction equation
HRID 907632As reactantuspto-grants-2011_09
HRID 1094286 reaction equation
HRID 1094286As reactantuspto-grants-2012_03
HRID 1443312 reaction equation
HRID 1443312As reactantuspto-grants-2010_02
HRID 1643497 reaction equation
HRID 1643497As reactantuspto-grants-2012_02
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Compound notes

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