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Benzyl 4-((cyclopropylamino)methyl)piperidine-1-carboxylate

HCID 57555432
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Basic information

CAS
877858-53-2
Standard SMILES
O=C(OCc1ccccc1)N1CCC(CNC2CC2)CC1
InChIKey
KFOIFRFPHCAQAT-UHFFFAOYSA-N
Molecular formula
C17H24N2O2
Average molar mass
288.4 g/mol
Monoisotopic mass
288.18377801

Names & identifiers

Preferred name
Benzyl 4-((cyclopropylamino)methyl)piperidine-1-carboxylate
IUPAC
benzyl 4-[(cyclopropylamino)methyl]piperidine-1-carboxylate
English name
4-CyclopropylaMinoMethyl-piperidine-1-carboxylic acid benzyl ester
Molecular formula
C17H24N2O2
Molecular weight
288.38466

Names & synonyms

877858-53-2Benzyl 4-((cyclopropylamino)methyl)piperidine-1-carboxylate4-Cyclopropylaminomethyl-piperidine-1-carboxylic acid benzyl esterbenzyl 4-[(cyclopropylamino)methyl]piperidine-1-carboxylateN-[(1-Cbz-4-piperidyl)methyl]cyclopropanamineSCHEMBL1495904KFOIFRFPHCAQAT-UHFFFAOYSA-NDTXSID601168635MFCD21098015SY326789DB-253173A1-19942
Show more names
Benzyl4-((cyclopropylamino)methyl)piperidine-1-carboxylatePhenylmethyl 4-[(cyclopropylamino)methyl]-1-piperidinecarboxylate

Database identifiers

CAS
877858-53-2
PubChem CID
57555432
DTXSID
DTXSID601168635

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
21
Formal charge
0
Complexity
330

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Related reactions

2 records
New reaction record
HRID 220838 reaction equation
HRID 220838As productuspto-grants-2012_06
HRID 1218551 reaction equation
HRID 1218551As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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