N,N'-Di-tert-Butoxycarbonyl-7-[1-(pyridin-4-ylmethyl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinoline-2-carboxamidine
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCc2ccc(OCC3CCN(Cc4ccncc4)CC3)cc2C1- InChIKey
KQRAURYJFSTTNV-UHFFFAOYSA-N- Molecular formula
- C32H45N5O5
- Average molar mass
- 579.7 g/mol
Names & identifiers
- Preferred name
- N,N'-Di-tert-Butoxycarbonyl-7-[1-(pyridin-4-ylmethyl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinoline-2-carboxamidine
- IUPAC
- tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-[7-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methylidene]carbamate
Names & synonyms
SCHEMBL6188974SCHEMBL6188979KQRAURYJFSTTNV-UHFFFAOYSA-NN,N'-Di-tert-Butoxycarbonyl-7-[1-(pyridin-4-ylmethyl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinoline-2-carboxamidine
Database identifiers
- PubChem CID
- 69697137
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 915
Related reactions
1 records
Compound notes
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