tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate

C20H32N4O2 — CID 140936830

IUPACtert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCC1CCC(c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1
InChIInChI=1S/C20H32N4O2/c1-15-5-7-16(8-6-15)17-13-21-14-18(22-17)23-9-11-24(12-10-23)19(25)26-20(2,3)4/h13-16H,5-12H2,1-4H3
InChIKeyMDZYKOSVRIOMFZ-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.83
Rot. Bonds2

About tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate (PubChem CID 140936830) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate
PubChem CID140936830
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Nametert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCC1CCC(c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1
InChIInChI=1S/C20H32N4O2/c1-15-5-7-16(8-6-15)17-13-21-14-18(22-17)23-9-11-24(12-10-23)19(25)26-20(2,3)4/h13-16H,5-12H2,1-4H3
InChIKeyMDZYKOSVRIOMFZ-UHFFFAOYSA-N
XLogP3.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10030012, Example 49
CID 78318148
US10030012, Example 50
CID 78318149
3-[6-[1-(2,2-Dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099054
Tert-butyl 4-[1-(3-fluoro-6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24960706
Tert-butyl 4-[6-(3-aminopropyl)pyrazin-2-yl]piperazine-1-carboxylate;hydrochloride
CID 177799680
3-[6-(1-Acetylpiperidin-4-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110098954
Tert-butyl 3-[5-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 110099018
3-[6-(1-Acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099051
Tert-butyl 4-(5-butylpyrazin-2-yl)piperazine-1-carboxylate
CID 21069203
Tert-butyl 4-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24958507
Tert-butyl 4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24960703
Tert-butyl 4-[1-(6-cyclopropylpyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24960705

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate (CID 140936830) is tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate is CC1CCC(c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1.
What is the InChIKey of tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate?
The InChIKey is MDZYKOSVRIOMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-5-7-16(8-6-15)17-13-21-14-18(22-17)23-9-11-24(12-10-23)19(25)26-20(2,3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate has a molecular weight of 360.50 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(4-methylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 140936830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).