tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate

C11H22N2O3 — CID 175607983

IUPACtert-butyl (2R)-2-ethoxypiperazine-1-carboxylate
SMILESCCO[C@@H]1CNCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-15-9-8-12-6-7-13(9)10(14)16-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyMHABBPGKEYEIHA-SECBINFHSA-N
MW230.31 g/mol
LogP1.19
Rot. Bonds2

About tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate

tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate (PubChem CID 175607983) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-ethoxypiperazine-1-carboxylate
PubChem CID175607983
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (2R)-2-ethoxypiperazine-1-carboxylate
SMILESCCO[C@@H]1CNCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-15-9-8-12-6-7-13(9)10(14)16-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyMHABBPGKEYEIHA-SECBINFHSA-N
XLogP1.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

Analyze tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
CID 156743978
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
tert-butyl 2-ethoxyazocane-1-carboxylate
CID 101126041
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
tert-butyl (2S)-2-methylsulfanylpiperazine-1-carboxylate
CID 97170570
tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 164740203
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate (CID 175607983) is tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate is CCO[C@@H]1CNCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate?
The InChIKey is MHABBPGKEYEIHA-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-15-9-8-12-6-7-13(9)10(14)16-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate?
tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-ethoxypiperazine-1-carboxylate is sourced from PubChem (CID 175607983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).