4-[(Pyridazin-4-ylamino)-methyl]-piperidine-1-carboxylic acid-4-fluoro-benzyl ester

HCID 10154543
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Basic information

Standard SMILES
O=C(OCc1ccc(F)cc1)N1CCC(CNc2ccnnc2)CC1
InChIKey
YBGWTKMFWGDCNJ-UHFFFAOYSA-N
Molecular formula
C18H21FN4O2
Average molar mass
344.4 g/mol
Monoisotopic mass
344.16485409

Names & identifiers

Preferred name
4-[(Pyridazin-4-ylamino)-methyl]-piperidine-1-carboxylic acid-4-fluoro-benzyl ester
IUPAC
(4-fluorophenyl)methyl 4-[(pyridazin-4-ylamino)methyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL5347357YBGWTKMFWGDCNJ-UHFFFAOYSA-N4-[(pyridazin-4-ylamino)-methyl]-piperidine-1-carboxylic acid-4-fluoro-benzyl ester

Database identifiers

PubChem CID
10154543

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
67.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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