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[(2R,5S)-5-amino-1-benzylpiperidin-2-yl]methanol

[(2R,5S)-5-amino-1-benzylpiperidin-2-yl]methanol

CAS: 2043068-76-2

Formula: C13H20N2O

SMILES: N[C@H]1CC[C@H](CO)N(CC2=CC=CC=C2)C1

IUPAC: [(2R,5S)-5-amino-1-benzylpiperidin-2-yl]methanol

InChI: InChI=1S/C13H20N2O/c14-12-6-7-13(10-16)15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2/t12-,13+/m0/s1

Composition: C (70.87%), H (9.15%), N (12.72%), O (7.26%)

Molar Mass: 220.316

Atom Count: 36

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 220.157563272
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HPNNVUWUAKWRRR-QWHCGFSZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.72
Topological Polar Surface Area 49.49
Polarizability 26.18
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2043068-76-2 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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