tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate

C14H26N2O3 — CID 134969186

IUPACtert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C2CCOCC2)C1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-6-15-12(10-16)11-4-8-18-9-5-11/h11-12,15H,4-10H2,1-3H3
InChIKeyYIMNHIQBDSYNQP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds1

About tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate

tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate (PubChem CID 134969186) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate
PubChem CID134969186
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C2CCOCC2)C1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-6-15-12(10-16)11-4-8-18-9-5-11/h11-12,15H,4-10H2,1-3H3
InChIKeyYIMNHIQBDSYNQP-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate (CID 134969186) is tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(C2CCOCC2)C1.
What is the InChIKey of tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate?
The InChIKey is YIMNHIQBDSYNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-6-15-12(10-16)11-4-8-18-9-5-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate?
tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(oxan-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 134969186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).