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benzyl N-[(3S)-piperidin-3-yl]carbamate

benzyl N-[(3S)-piperidin-3-yl]carbamate

CAS: 478646-33-2

Formula: C13H18N2O2

SMILES: O=C(N[C@H]1CCCNC1)OCC1=CC=CC=C1

IUPAC: benzyl N-[(3S)-piperidin-3-yl]carbamate

InChI: InChI=1S/C13H18N2O2/c16-13(15-12-7-4-8-14-9-12)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)/t12-/m0/s1

Composition: C (66.64%), H (7.74%), N (11.96%), O (13.66%)

Molar Mass: 234.299

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 234.136827828
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey GEHZGURGZRSODK-LBPRGKRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.53
Topological Polar Surface Area 50.36
Polarizability 25.91
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
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97% <5 Days 478646-33-2 $22.70-$160.15$22.70$47.92$160.15
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