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AB 005

CAT: 0926-BM166976-01Size: 0.01 gDry Ice: NoHazardous: No
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CAT#:0926-BM166976-01Size:0.01 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
895155-25-6
Synonyms
[1-[ (1-Methyl-2-piperidinyl) methyl]-1H-indol-3-yl] (2,2,3,3-tetramethylcyclopropyl) methanone
MDL Number
MFCD22577143
Smiles
CC1 (C (C1 (C) C) C (=O) C2=CN (C3=CC=CC=C32) CC4CCCCN4C) C
Molecular Formula
C23H32N2O
Molecular Weight
352.51 g/mol
Controlled
Yes

Chemical Information

[1-[(1-Methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CAS Number895155-25-6
PubChem CID11537652
IUPAC Name[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Molecular FormulaC23H32N2O
Molecular Weight352.5
XLogP4.7
Topological Polar Surface Area25.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity540
SMILES
CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CC4CCCCN4C)C
InChI
InChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)14-16-10-8-9-13-24(16)5/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3
InChIKey
MOBWRRIAIHYXLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-[(1-Methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CAS: 895155-25-6
CID: 11537652
Formula: C23H32N2O
MW: 352.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.5
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass352.251463648
Monoisotopic Mass352.251463648
Topological Polar Surface Area25.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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