2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine

C18H29N5 — CID 126892627

IUPAC2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine
SMILESCc1cncc(N2CC(N3CCN(C4CCCCC4)CC3)C2)n1
InChIInChI=1S/C18H29N5/c1-15-11-19-12-18(20-15)23-13-17(14-23)22-9-7-21(8-10-22)16-5-3-2-4-6-16/h11-12,16-17H,2-10,13-14H2,1H3
InChIKeyVOFAHEIJEKRSJI-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.92
Rot. Bonds3

About 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine

2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine (PubChem CID 126892627) has the molecular formula C18H29N5 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine
PubChem CID126892627
Molecular FormulaC18H29N5
Molecular Weight315.46 g/mol
Exact Mass315.24
IUPAC Name2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine
SMILESCc1cncc(N2CC(N3CCN(C4CCCCC4)CC3)C2)n1
InChIInChI=1S/C18H29N5/c1-15-11-19-12-18(20-15)23-13-17(14-23)22-9-7-21(8-10-22)16-5-3-2-4-6-16/h11-12,16-17H,2-10,13-14H2,1H3
InChIKeyVOFAHEIJEKRSJI-UHFFFAOYSA-N
XLogP1.92
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-6-methylpyrazine
CID 133468968
2-(4-cyclohexylpiperazin-1-yl)-6-methoxypyrazine
CID 171701805
6-(4-cyclopentylpiperazin-1-yl)pyrazin-2-amine
CID 78988801
(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-ol
CID 129412688
2-(3-methoxypiperidin-1-yl)-6-methylpyrazine
CID 133470094
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-amine
CID 78954925
ethane;methanol;2-methyl-6-pyrrolidin-1-ylpyrazine
CID 169251343
(3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde
CID 42555979
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
CID 66449525
2-cyclohexyl-1-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 133469560
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953
2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole
CID 171701816

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine?
The IUPAC name of 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine (CID 126892627) is 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine?
The canonical SMILES for 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine is Cc1cncc(N2CC(N3CCN(C4CCCCC4)CC3)C2)n1.
What is the InChIKey of 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine?
The InChIKey is VOFAHEIJEKRSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-15-11-19-12-18(20-15)23-13-17(14-23)22-9-7-21(8-10-22)16-5-3-2-4-6-16/h11-12,16-17H,2-10,13-14H2,1H3.
What are the key properties of 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine?
2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine has a molecular weight of 315.46 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine is sourced from PubChem (CID 126892627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).