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(3R,4R)-1-benzyl-3-hydroxypiperidine-4-carbonitrile

(3R,4R)-1-benzyl-3-hydroxypiperidine-4-carbonitrile

CAS: 1013333-20-4

Formula: C13H16N2O

SMILES: O[C@H]1CN(CC2=CC=CC=C2)CC[C@@H]1C#N

IUPAC: (3R,4R)-1-benzyl-3-hydroxypiperidine-4-carbonitrile

InChI: InChI=1S/C13H16N2O/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-7,9-10H2/t12-,13-/m1/s1

Composition: C (72.19%), H (7.46%), N (12.95%), O (7.40%)

Molar Mass: 216.284

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 216.126263143
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XZYDMOVDIBVPOL-OLZOCXBDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.17
Topological Polar Surface Area 47.26
Polarizability 24.48
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1013333-20-4 $102.35-$3,310.85$102.35$135.70$1,657.15$3,310.85
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1013333-20-4 $281.75-$845.25$281.75$845.25
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