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1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid

1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid

Formula: C14H19NO2

SMILES: CC1=CC=C(CN2CCCC(C2)C(O)=O)C=C1

IUPAC: 1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid

InChI: InChI=1/C14H19NO2/c1-11-4-6-12(7-5-11)9-15-8-2-3-13(10-15)14(16)17/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)

Composition: C (72.07%), H (8.21%), N (6.00%), O (13.71%)

Molar Mass: 233.311

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 233.141578856
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BHBYJGVZNPIAMY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.87
Topological Polar Surface Area 40.54
Polarizability 26.29
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H19NO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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