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N-Boc-piperazine-d8

CAT: 0926-BVB62186Size: 0.1 gDry Ice: NoHazardous: No
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CAT#:0926-BVB62186Size:0.1 g
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CAS Number
1126621-86-0
MDL Number
MFCD08705174
Smiles
CC (C) (C) OC (=O) N1CCNCC1
Molecular Formula
C9H18N2O2
Molecular Weight
194.3 g/mol
Controlled
No

Chemical Information

Tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate

See also: tert-Butyl piperazine-1-carboxylate (annotation moved to).

CAS Number1126621-86-0
PubChem CID45038414
IUPAC Nametert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
Molecular FormulaC9H18N2O2
Molecular Weight194.30
XLogP0.5
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity181
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H]
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2
InChIKey
CWXPZXBSDSIRCS-DUSUNJSHSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
CAS: 1126621-86-0
CID: 45038414
Formula: C9H18N2O2
MW: 194.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.30
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass194.187041789
Monoisotopic Mass194.187041789
Topological Polar Surface Area41.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity181
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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