tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate

C11H22N2O3 — CID 23078616

IUPACtert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate
SMILESCOC1C(C)NCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8-9(15-5)13(7-6-12-8)10(14)16-11(2,3)4/h8-9,12H,6-7H2,1-5H3
InChIKeyDOOGGLNBRHGIBS-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.19
Rot. Bonds1

About tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate

tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate (PubChem CID 23078616) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate
PubChem CID23078616
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate
SMILESCOC1C(C)NCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8-9(15-5)13(7-6-12-8)10(14)16-11(2,3)4/h8-9,12H,6-7H2,1-5H3
InChIKeyDOOGGLNBRHGIBS-UHFFFAOYSA-N
XLogP1.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 2-methoxypiperazine-1-carboxylate
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ditert-butyl (3R)-2-methoxyazepane-1,3-dicarboxylate
CID 171364155
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate
CID 174358225
tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
CID 24820292
tert-butyl (2S)-3-methoxy-2-methylpyrrolidine-1-carboxylate
CID 166870611
tert-butyl 2-hydroxypiperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate (CID 23078616) is tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate is COC1C(C)NCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate?
The InChIKey is DOOGGLNBRHGIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8-9(15-5)13(7-6-12-8)10(14)16-11(2,3)4/h8-9,12H,6-7H2,1-5H3.
What are the key properties of tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate?
tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methoxy-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 23078616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).