{4-[1-(2-Dimethylamino-acetyl)-piperidin-4-yl]-phenyl}-carbamic acid tert-butyl ester

HCID 68679986
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Basic information

Standard SMILES
CN(C)CC(=O)N1CCC(c2ccc(NC(=O)OC(C)(C)C)cc2)CC1
InChIKey
KATXBLZHYQGVFI-UHFFFAOYSA-N
Molecular formula
C20H31N3O3
Average molar mass
361.5 g/mol
Monoisotopic mass
361.23654186

Names & identifiers

Preferred name
{4-[1-(2-Dimethylamino-acetyl)-piperidin-4-yl]-phenyl}-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]carbamate

Names & synonyms

SCHEMBL3534489KATXBLZHYQGVFI-UHFFFAOYSA-N{4-[1-(2-Dimethylamino-acetyl)-piperidin-4-yl]-phenyl}-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
68679986

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
61.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

Related reactions

4 records
New reaction record

Compound notes

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