butane;tert-butyl piperazine-1-carboxylate

C13H28N2O2 — CID 170170212

IUPACbutane;tert-butyl piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1.CCCC
InChIInChI=1S/C9H18N2O2.C4H10/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-3-4-2/h10H,4-7H2,1-3H3;3-4H2,1-2H3
InChIKeyKWMAAFQMBYSHBU-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.63
Rot. Bonds1

About butane;tert-butyl piperazine-1-carboxylate

butane;tert-butyl piperazine-1-carboxylate (PubChem CID 170170212) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is butane;tert-butyl piperazine-1-carboxylate.

Molecular Properties

Compound Namebutane;tert-butyl piperazine-1-carboxylate
PubChem CID170170212
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Namebutane;tert-butyl piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1.CCCC
InChIInChI=1S/C9H18N2O2.C4H10/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-3-4-2/h10H,4-7H2,1-3H3;3-4H2,1-2H3
InChIKeyKWMAAFQMBYSHBU-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
4-O,7-O-ditert-butyl 1-O-propan-2-yl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 58918460
tert-butyl piperazine-1-carboxylate;oxolane
CID 162748151
tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine
CID 159944699
tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159250302
(3-hydroxy-2,2-dimethylhexan-3-yl) piperazine-1-carboxylate
CID 175464208
2-[4,7-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 142939665
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

Frequently Asked Questions

What is the IUPAC name of butane;tert-butyl piperazine-1-carboxylate?
The IUPAC name of butane;tert-butyl piperazine-1-carboxylate (CID 170170212) is butane;tert-butyl piperazine-1-carboxylate.
What is the SMILES notation for butane;tert-butyl piperazine-1-carboxylate?
The canonical SMILES for butane;tert-butyl piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1.CCCC.
What is the InChIKey of butane;tert-butyl piperazine-1-carboxylate?
The InChIKey is KWMAAFQMBYSHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C4H10/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-3-4-2/h10H,4-7H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;tert-butyl piperazine-1-carboxylate?
butane;tert-butyl piperazine-1-carboxylate has a molecular weight of 244.38 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;tert-butyl piperazine-1-carboxylate is sourced from PubChem (CID 170170212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).