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Ethyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate

HCID 14049029
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
106244-76-2
Standard SMILES
CCOC(=O)N1CCC(O)(CN)CC1
InChIKey
MEHDPHFVOFBZMT-UHFFFAOYSA-N
Molecular formula
C9H18N2O3
Average molar mass
202.25 g/mol
Monoisotopic mass
202.13174244

Names & identifiers

Preferred name
Ethyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
IUPAC
ethyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate

Names & synonyms

ethyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate106244-76-2ethyl 4-(aminomethyl)-4-hydroxy-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-hydroxy-, ethyl esterSCHEMBL505705MEHDPHFVOFBZMT-UHFFFAOYSA-NDTXSID801205592DB-187398Ethyl 4-aminomethyl-4-hydroxypiperidine-1-carboxylate

Database identifiers

CAS
106244-76-2
PubChem CID
14049029
DTXSID
DTXSID801205592

Properties

Computed structural properties

XLogP
-0.8
Topological polar surface area
75.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
200

Related reactions

19 records
New reaction record
HRID 44689 reaction equation
HRID 44689As productuspto-grants-2013_09
HRID 44690 reaction equation
HRID 44690As reactantuspto-grants-2013_09
HRID 179474 reaction equation
HRID 179474As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 283501 reaction equation
HRID 283501As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 579781 reaction equation
HRID 579781As productuspto-grants-1988_06
HRID 1363522 reaction equation
HRID 1363522As productuspto-grants-2011_02
HRID 1363523 reaction equation
HRID 1363523As reactantuspto-grants-2011_02
HRID 1469228 reaction equation
HRID 1469228As productuspto-grants-2015_04
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Compound notes

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