tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate

C14H21ClN4O2 — CID 141122917

IUPACtert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1(C)c1nccnc1Cl
InChIInChI=1S/C14H21ClN4O2/c1-13(2,3)21-12(20)19-8-7-16-9-14(19,4)10-11(15)18-6-5-17-10/h5-6,16H,7-9H2,1-4H3
InChIKeyLSIDXKAOYBEFGZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.19
Rot. Bonds1

About tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate

tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate (PubChem CID 141122917) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate
PubChem CID141122917
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Nametert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1(C)c1nccnc1Cl
InChIInChI=1S/C14H21ClN4O2/c1-13(2,3)21-12(20)19-8-7-16-9-14(19,4)10-11(15)18-6-5-17-10/h5-6,16H,7-9H2,1-4H3
InChIKeyLSIDXKAOYBEFGZ-UHFFFAOYSA-N
XLogP2.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 69456813
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
CID 86337386
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpiperazine-1-carboxylate
CID 178167079
tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 67979785
tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
CID 141188760
tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
CID 102345334
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199
tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate
CID 174701706
tert-butyl 2-methyl-2-phenylazepane-1-carboxylate
CID 135033621
tert-butyl (2S)-2-(3-chloropyrazin-2-yl)pyrrolidine-1-carboxylate
CID 124997181

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate (CID 141122917) is tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1(C)c1nccnc1Cl.
What is the InChIKey of tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate?
The InChIKey is LSIDXKAOYBEFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-13(2,3)21-12(20)19-8-7-16-9-14(19,4)10-11(15)18-6-5-17-10/h5-6,16H,7-9H2,1-4H3.
What are the key properties of tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate?
tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate has a molecular weight of 312.80 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-chloropyrazin-2-yl)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 141122917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).