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tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate

HCID 45792109
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1CCN(C2CCOCC2)CC1
InChIKey
NTMDQWLDGSQTLJ-UHFFFAOYSA-N
Molecular formula
C15H28N2O3
Average molar mass
284.39 g/mol

Names & identifiers

Preferred name
tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate
IUPAC
tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamate

Names & synonyms

873537-63-4tert-butyl N-[1-(oxan-4-yl)piperidin-4-yl]carbamatetert-butyl 1-(tetrahydro-2H-pyran-4-yl)piperidin-4-ylcarbamatetert-Butyl (1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)carbamatetert-butyl [1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]carbamateSCHEMBL1699876NTMDQWLDGSQTLJ-UHFFFAOYSA-NYJB53763STL089993AKOS005647022DA-41003CS-0069623
Show more names
EN300-53036tert-butylN-[1-(oxan-4-yl)piperidin-4-yl]carbamate1,1-dimethylethyl [1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]carbamate

Database identifiers

PubChem CID
45792109

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
314

Related reactions

30 records
New reaction record
HRID 294801 reaction equation
HRID 294801As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 573056 reaction equation
HRID 573056As productuspto-grants-2015_05
HRID 573057 reaction equation
HRID 573057As reactantuspto-grants-2015_05
HRID 574762 reaction equation
HRID 574762As productuspto-grants-2015_05
HRID 624344 reaction equation
HRID 624344As productuspto-grants-2016_04
HRID 624345 reaction equation
HRID 624345As reactantuspto-grants-2016_04
HRID 629592 reaction equation
HRID 629592As productuspto-grants-2016_04
HRID 629593 reaction equation
HRID 629593As reactantuspto-grants-2016_04
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes