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tert-butyl N-{[1-(4-formylphenyl)piperidin-3-yl]methyl}carbamate

tert-butyl N-{[1-(4-formylphenyl)piperidin-3-yl]methyl}carbamate

CAS: 1260773-11-2

Formula: C18H26N2O3

SMILES: CC(C)(C)OC(=O)NCC1CCCN(C1)C1=CC=C(C=O)C=C1

IUPAC: tert-butyl N-{[1-(4-formylphenyl)piperidin-3-yl]methyl}carbamate

InChI: InChI=1/C18H26N2O3/c1-18(2,3)23-17(22)19-11-15-5-4-10-20(12-15)16-8-6-14(13-21)7-9-16/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,19,22)

Composition: C (67.90%), H (8.23%), N (8.80%), O (15.07%)

Molar Mass: 318.417

Atom Count: 49

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 318.194342705
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ODSIAVYKEFVCRN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.04
Topological Polar Surface Area 58.64
Polarizability 34.79
Ring Count 2
Rotatable Bond Count 6

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95% <5 Days 1260773-11-2 $2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00
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