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(3R,5S)-1-benzylpiperidine-3,5-diol

(3R,5S)-1-benzylpiperidine-3,5-diol

CAS: 913831-96-6

Formula: C12H17NO2

SMILES: O[C@H]1C[C@@H](O)CN(CC2=CC=CC=C2)C1

IUPAC: (3R,5S)-1-benzylpiperidine-3,5-diol

InChI: InChI=1S/C12H17NO2/c14-11-6-12(15)9-13(8-11)7-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12+

Composition: C (69.54%), H (8.27%), N (6.76%), O (15.44%)

Molar Mass: 207.273

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 207.125928791
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ARTDOWDQPXVXAF-TXEJJXNPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.42
Topological Polar Surface Area 43.7
Polarizability 23.41
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 913831-96-6 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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