[1-Cyclopropylmethyl-4-(4-iodo-phenyl)-piperidin-4-ylmethyl]-carbamic acid isobutyl ester

HCID 68533264
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Basic information

Standard SMILES
CC(C)COC(=O)NCC1(c2ccc(I)cc2)CCN(CC2CC2)CC1
InChIKey
UWUCFQSROMDAOI-UHFFFAOYSA-N
Molecular formula
C21H31IN2O2
Average molar mass
470.4 g/mol

Names & identifiers

Preferred name
[1-Cyclopropylmethyl-4-(4-iodo-phenyl)-piperidin-4-ylmethyl]-carbamic acid isobutyl ester
IUPAC
2-methylpropyl N-[[1-(cyclopropylmethyl)-4-(4-iodophenyl)piperidin-4-yl]methyl]carbamate

Names & synonyms

SCHEMBL3158492UWUCFQSROMDAOI-UHFFFAOYSA-N[1-cyclopropylmethyl-4-(4-iodo-phenyl)-piperidin-4-ylmethyl]-carbamic acid isobutyl ester

Database identifiers

PubChem CID
68533264

Properties

Computed structural properties

XLogP
5
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
26

Related reactions

3 records
New reaction record

Compound notes

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