tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine

C14H30N4O2 — CID 159944699

IUPACtert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine
SMILESCC(C)(C)OC(=O)N1CCNCC1.[2H]C([2H])([2H])N1CCNCC1
InChIInChI=1S/C9H18N2O2.C5H12N2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-7-4-2-6-3-5-7/h10H,4-7H2,1-3H3;6H,2-5H2,1H3/i;1D3
InChIKeyOBIKXTDVLFRXGJ-SVLQTQOOSA-N
MW289.44 g/mol
LogP0.35
Rot. Bonds1

About tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine

tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine (PubChem CID 159944699) has the molecular formula C14H30N4O2 and a molecular weight of 289.44 g/mol. Its IUPAC name is tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine.

Molecular Properties

Compound Nametert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine
PubChem CID159944699
Molecular FormulaC14H30N4O2
Molecular Weight289.44 g/mol
Exact Mass289.26
IUPAC Nametert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine
SMILESCC(C)(C)OC(=O)N1CCNCC1.[2H]C([2H])([2H])N1CCNCC1
InChIInChI=1S/C9H18N2O2.C5H12N2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-7-4-2-6-3-5-7/h10H,4-7H2,1-3H3;6H,2-5H2,1H3/i;1D3
InChIKeyOBIKXTDVLFRXGJ-SVLQTQOOSA-N
XLogP0.35
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
tert-butyl piperazine-1-carboxylate;oxolane
CID 162748151
4-O,7-O-ditert-butyl 1-O-propan-2-yl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 58918460
tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159250302
tert-butyl piperazine-1-carboxylate;piperidine-1-carbaldehyde
CID 144843381
tert-butyl 11,12-dioxo-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-4-carboxylate
CID 16748158
2-[4,7-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 142939665
2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid
CID 155064657

Frequently Asked Questions

What is the IUPAC name of tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine?
The IUPAC name of tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine (CID 159944699) is tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine.
What is the SMILES notation for tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine?
The canonical SMILES for tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine is CC(C)(C)OC(=O)N1CCNCC1.[2H]C([2H])([2H])N1CCNCC1.
What is the InChIKey of tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine?
The InChIKey is OBIKXTDVLFRXGJ-SVLQTQOOSA-N. The full InChI is InChI=1S/C9H18N2O2.C5H12N2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-7-4-2-6-3-5-7/h10H,4-7H2,1-3H3;6H,2-5H2,1H3/i;1D3.
What are the key properties of tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine?
tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine has a molecular weight of 289.44 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine is sourced from PubChem (CID 159944699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).