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tert-butyl 4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate

tert-butyl 4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate

CAS: 930111-63-0

Formula: C18H27NO3

SMILES: C[C@H](N1CCC(O)CC1C(=O)OC(C)(C)C)C1=CC=CC=C1

IUPAC: tert-butyl 4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate

InChI: InChI=1S/C18H27NO3/c1-13(14-8-6-5-7-9-14)19-11-10-15(20)12-16(19)17(21)22-18(2,3)4/h5-9,13,15-16,20H,10-12H2,1-4H3/t13-,15?,16?/m0/s1

Composition: C (70.79%), H (8.91%), N (4.59%), O (15.72%)

Molar Mass: 305.418

Atom Count: 49

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 305.199093733
Formal Charge 0
FSP3 0.61
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LWSAOYIERWPQNY-JEYLPNPQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.15
Topological Polar Surface Area 49.77
Polarizability 34.61
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 930111-63-0 $2,200.00-$5,040.00$2,200.00$3,300.00$5,040.00
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