ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine

C15H29N3 — CID 144954602

IUPACethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine
SMILESCC.CC.Cc1cnc(N2CCC(C)CC2)cn1
InChIInChI=1S/C11H17N3.2C2H6/c1-9-3-5-14(6-4-9)11-8-12-10(2)7-13-11;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3
InChIKeyATYMJHLHORDMCB-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.07
Rot. Bonds1

About ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine

ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine (PubChem CID 144954602) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine.

Molecular Properties

Compound Nameethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine
PubChem CID144954602
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Nameethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine
SMILESCC.CC.Cc1cnc(N2CCC(C)CC2)cn1
InChIInChI=1S/C11H17N3.2C2H6/c1-9-3-5-14(6-4-9)11-8-12-10(2)7-13-11;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3
InChIKeyATYMJHLHORDMCB-UHFFFAOYSA-N
XLogP4.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazine
CID 123758655
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
1-[4-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95824950
N-cycloheptyl-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275249
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
2,5-dimethylpyrazine;ethane
CID 143125119
5-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
CID 171429390
(4-ethylpiperazin-1-yl)-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275194
5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine
CID 81237792
6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81233113
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine?
The IUPAC name of ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine (CID 144954602) is ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine.
What is the SMILES notation for ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine?
The canonical SMILES for ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine is CC.CC.Cc1cnc(N2CCC(C)CC2)cn1.
What is the InChIKey of ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine?
The InChIKey is ATYMJHLHORDMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.2C2H6/c1-9-3-5-14(6-4-9)11-8-12-10(2)7-13-11;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine?
ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine has a molecular weight of 251.42 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine is sourced from PubChem (CID 144954602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).