ditert-butyl carbonate;piperazine-1-carboxylic acid

C14H28N2O5 — CID 161485280

IUPACditert-butyl carbonate;piperazine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)OC(C)(C)C.O=C(O)N1CCNCC1
InChIInChI=1S/C9H18O3.C5H10N2O2/c1-8(2,3)11-7(10)12-9(4,5)6;8-5(9)7-3-1-6-2-4-7/h1-6H3;6H,1-4H2,(H,8,9)
InChIKeyWEWYVEVKACWDQU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.31
Rot. Bonds

About ditert-butyl carbonate;piperazine-1-carboxylic acid

ditert-butyl carbonate;piperazine-1-carboxylic acid (PubChem CID 161485280) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is ditert-butyl carbonate;piperazine-1-carboxylic acid.

Molecular Properties

Compound Nameditert-butyl carbonate;piperazine-1-carboxylic acid
PubChem CID161485280
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Nameditert-butyl carbonate;piperazine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)OC(C)(C)C.O=C(O)N1CCNCC1
InChIInChI=1S/C9H18O3.C5H10N2O2/c1-8(2,3)11-7(10)12-9(4,5)6;8-5(9)7-3-1-6-2-4-7/h1-6H3;6H,1-4H2,(H,8,9)
InChIKeyWEWYVEVKACWDQU-UHFFFAOYSA-N
XLogP2.31
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl acetate;piperazine-1-carboxylic acid
CID 167582748
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
2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid
CID 155064657
tert-butyl piperazine-1-carboxylate;piperidine-1-carbaldehyde
CID 144843381
tert-butyl piperazine-1-carboxylate;oxolane
CID 162748151
tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine
CID 159944699
2-[4,7-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 142939665
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893

Frequently Asked Questions

What is the IUPAC name of ditert-butyl carbonate;piperazine-1-carboxylic acid?
The IUPAC name of ditert-butyl carbonate;piperazine-1-carboxylic acid (CID 161485280) is ditert-butyl carbonate;piperazine-1-carboxylic acid.
What is the SMILES notation for ditert-butyl carbonate;piperazine-1-carboxylic acid?
The canonical SMILES for ditert-butyl carbonate;piperazine-1-carboxylic acid is CC(C)(C)OC(=O)OC(C)(C)C.O=C(O)N1CCNCC1.
What is the InChIKey of ditert-butyl carbonate;piperazine-1-carboxylic acid?
The InChIKey is WEWYVEVKACWDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.C5H10N2O2/c1-8(2,3)11-7(10)12-9(4,5)6;8-5(9)7-3-1-6-2-4-7/h1-6H3;6H,1-4H2,(H,8,9).
What are the key properties of ditert-butyl carbonate;piperazine-1-carboxylic acid?
ditert-butyl carbonate;piperazine-1-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.31, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl carbonate;piperazine-1-carboxylic acid is sourced from PubChem (CID 161485280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).