tert-butyl piperazine-1-carboxylate;oxolane

C13H26N2O3 — CID 162748151

IUPACtert-butyl piperazine-1-carboxylate;oxolane
SMILESC1CCOC1.CC(C)(C)OC(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O2.C4H8O/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2-4-5-3-1/h10H,4-7H2,1-3H3;1-4H2
InChIKeyORSZUEPPZQKSMH-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.62
Rot. Bonds

About tert-butyl piperazine-1-carboxylate;oxolane

tert-butyl piperazine-1-carboxylate;oxolane (PubChem CID 162748151) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl piperazine-1-carboxylate;oxolane.

Molecular Properties

Compound Nametert-butyl piperazine-1-carboxylate;oxolane
PubChem CID162748151
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl piperazine-1-carboxylate;oxolane
SMILESC1CCOC1.CC(C)(C)OC(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O2.C4H8O/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2-4-5-3-1/h10H,4-7H2,1-3H3;1-4H2
InChIKeyORSZUEPPZQKSMH-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
tert-butyl piperazine-1-carboxylate;piperidine-1-carbaldehyde
CID 144843381
tert-butyl piperazine-1-carboxylate;1-(trideuteriomethyl)piperazine
CID 159944699
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 11,12-dioxo-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-4-carboxylate
CID 16748158
(2Z)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride;tert-butyl 4-[(Z)-C-(3-bromothiophen-2-yl)-N-hydroxycarbonimidoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;oxolane
CID 172935047
2-[4,7-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 142939665

Frequently Asked Questions

What is the IUPAC name of tert-butyl piperazine-1-carboxylate;oxolane?
The IUPAC name of tert-butyl piperazine-1-carboxylate;oxolane (CID 162748151) is tert-butyl piperazine-1-carboxylate;oxolane.
What is the SMILES notation for tert-butyl piperazine-1-carboxylate;oxolane?
The canonical SMILES for tert-butyl piperazine-1-carboxylate;oxolane is C1CCOC1.CC(C)(C)OC(=O)N1CCNCC1.
What is the InChIKey of tert-butyl piperazine-1-carboxylate;oxolane?
The InChIKey is ORSZUEPPZQKSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C4H8O/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2-4-5-3-1/h10H,4-7H2,1-3H3;1-4H2.
What are the key properties of tert-butyl piperazine-1-carboxylate;oxolane?
tert-butyl piperazine-1-carboxylate;oxolane has a molecular weight of 258.36 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperazine-1-carboxylate;oxolane is sourced from PubChem (CID 162748151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).