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

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

CAS: 1199239-43-4

Formula: C13H23N3O2

SMILES: CC(C)(C)OC(=O)NCC1CCN(CC#N)CC1

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

InChI: InChI=1S/C13H23N3O2/c1-13(2,3)18-12(17)15-10-11-4-7-16(8-5-11)9-6-14/h11H,4-5,7-10H2,1-3H3,(H,15,17)

Composition: C (61.63%), H (9.15%), N (16.59%), O (12.63%)

Molar Mass: 253.346

Atom Count: 41

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 253.179026993
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MCBLOYMIEZRLES-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.12
Topological Polar Surface Area 65.36
Polarizability 27.23
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS UnitPrice
98% <10 Days 1199239-43-4 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1199239-43-4 $137.45-$583.84$137.45$225.72$583.84
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