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1-benzylpiperidine-4-carboxylic acid

1-benzylpiperidine-4-carboxylic acid

CAS: 10315-07-8

Formula: C13H17NO2

SMILES: OC(=O)C1CCN(CC2=CC=CC=C2)CC1

IUPAC: 1-benzylpiperidine-4-carboxylic acid

InChI: InChI=1S/C13H17NO2/c15-13(16)12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)

Composition: C (71.21%), H (7.81%), N (6.39%), O (14.59%)

Molar Mass: 219.284

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 219.125928791
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZMVSVQMWFTZSJQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.98
Topological Polar Surface Area 40.54
Polarizability 24.52
Ring Count 2
Rotatable Bond Count 3

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99.2% <7 Days 10315-07-8 $15.90-$198.22$15.90$29.92$49.56$198.22
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97% <7 Days 10315-07-8 $7.25-$368.46$7.25$9.32$31.05$60.03$96.26$368.46
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95% <2 Days 10315-07-8 $51.35-$292.79$51.35$63.37$86.31$292.79
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97% <6 Days 10315-07-8 $5.75-$142.60$5.75$8.05$29.90$57.50$142.60
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95% <5 Days 10315-07-8 $1,480.00-$4,180.00$1,480.00$4,180.00
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97% <14 Days 10315-07-8 $94.50-$354.38$94.50$354.38
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95% <8 Days 10315-07-8 $48.57-$699.43$48.57$145.71$233.14$437.14$699.43
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