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1-(tert-butoxycarbonyl)-2-phenylpiperidine-3-carboxylic acid

1-(tert-butoxycarbonyl)-2-phenylpiperidine-3-carboxylic acid

CAS: 885275-18-3

Formula: C17H23NO4

SMILES: CC(C)(C)OC(=O)N1CCCC(C1C1=CC=CC=C1)C(O)=O

IUPAC: 1-[(tert-butoxy)carbonyl]-2-phenylpiperidine-3-carboxylic acid

InChI: InChI=1/C17H23NO4/c1-17(2,3)22-16(21)18-11-7-10-13(15(19)20)14(18)12-8-5-4-6-9-12/h4-6,8-9,13-14H,7,10-11H2,1-3H3,(H,19,20)

Composition: C (66.86%), H (7.59%), N (4.59%), O (20.96%)

Molar Mass: 305.374

Atom Count: 45

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 305.162708225
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ORQZQOCBEQAYBJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.2
Topological Polar Surface Area 66.84
Polarizability 32.28
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 885275-18-3 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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