tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate

C16H26N4O4 — CID 69365272

IUPACtert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate
SMILESCC(O)Oc1nccnc1N1CCN(C(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C16H26N4O4/c1-11-10-19(8-9-20(11)15(22)24-16(3,4)5)13-14(23-12(2)21)18-7-6-17-13/h6-7,11-12,21H,8-10H2,1-5H3
InChIKeySCGZFZRXIDVBAR-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.64
Rot. Bonds3

About tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate

tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate (PubChem CID 69365272) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate
PubChem CID69365272
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Nametert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate
SMILESCC(O)Oc1nccnc1N1CCN(C(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C16H26N4O4/c1-11-10-19(8-9-20(11)15(22)24-16(3,4)5)13-14(23-12(2)21)18-7-6-17-13/h6-7,11-12,21H,8-10H2,1-5H3
InChIKeySCGZFZRXIDVBAR-UHFFFAOYSA-N
XLogP1.64
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-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 4-(2-chloro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 87693783
tert-butyl 2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 89484186
tert-butyl (2S)-2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 134500707
tert-butyl (2R)-4-(2-tert-butylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499466
tert-butyl (2R)-4-(5-chloro-3-nitro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 133499427
tert-butyl 4-[3-cyclopropyl-1-(3,5-difluorophenyl)pyrrolo[3,2-c]pyridin-4-yl]-2-methylpiperazine-1-carboxylate
CID 175580393
tert-butyl (2S)-4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 134500389
tert-butyl (2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 167442296
tert-butyl 4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 66569758
tert-butyl (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86331449
tert-butyl 4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 73016609
tert-butyl 4-(2,4-dichloropyrimidin-5-yl)-2-methylpiperazine-1-carboxylate
CID 118485094

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate (CID 69365272) is tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate is CC(O)Oc1nccnc1N1CCN(C(=O)OC(C)(C)C)C(C)C1.
What is the InChIKey of tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate?
The InChIKey is SCGZFZRXIDVBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-11-10-19(8-9-20(11)15(22)24-16(3,4)5)13-14(23-12(2)21)18-7-6-17-13/h6-7,11-12,21H,8-10H2,1-5H3.
What are the key properties of tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate?
tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(1-hydroxyethoxy)pyrazin-2-yl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 69365272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).