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1-benzyl-3,3-dimethylpiperidine-4-carboxylic acid

1-benzyl-3,3-dimethylpiperidine-4-carboxylic acid

CAS: 1892840-92-4

Formula: C15H21NO2

SMILES: CC1(C)CN(CC2=CC=CC=C2)CCC1C(O)=O

IUPAC: 1-benzyl-3,3-dimethylpiperidine-4-carboxylic acid

InChI: InChI=1/C15H21NO2/c1-15(2)11-16(9-8-13(15)14(17)18)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,18)

Composition: C (72.84%), H (8.56%), N (5.66%), O (12.94%)

Molar Mass: 247.338

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 247.15722892
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OIOYFTOKSGEEOX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.85
Topological Polar Surface Area 40.54
Polarizability 28.21
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1892840-92-4 $227.70-$4,597.70$227.70$342.70$457.70$687.70$1,147.70$4,597.70
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