N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine

C16H28N4 — CID 62587609

IUPACN-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cnc(C)c(N2CCCC(CNCC(C)C)C2)n1
InChIInChI=1S/C16H28N4/c1-12(2)8-17-10-15-6-5-7-20(11-15)16-14(4)18-9-13(3)19-16/h9,12,15,17H,5-8,10-11H2,1-4H3
InChIKeyHONHRAHSVGJQGC-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.56
Rot. Bonds5

About N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62587609) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62587609
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cnc(C)c(N2CCCC(CNCC(C)C)C2)n1
InChIInChI=1S/C16H28N4/c1-12(2)8-17-10-15-6-5-7-20(11-15)16-14(4)18-9-13(3)19-16/h9,12,15,17H,5-8,10-11H2,1-4H3
InChIKeyHONHRAHSVGJQGC-UHFFFAOYSA-N
XLogP2.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 99855098
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 114787661
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 104606621
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 79734168
2-methyl-N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]propan-1-amine
CID 106550557
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62587427
N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587780
2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 126808174
3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
CID 80680091
2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 106973651
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (CID 62587609) is N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine is Cc1cnc(C)c(N2CCCC(CNCC(C)C)C2)n1.
What is the InChIKey of N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is HONHRAHSVGJQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)8-17-10-15-6-5-7-20(11-15)16-14(4)18-9-13(3)19-16/h9,12,15,17H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62587609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).