N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine

C16H28N4 — CID 65418172

IUPACN-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1c1nc(C)cnc1C
InChIInChI=1S/C16H28N4/c1-5-9-17-13(3)15-8-6-7-10-20(15)16-14(4)18-11-12(2)19-16/h11,13,15,17H,5-10H2,1-4H3
InChIKeyGAGJNBHDHIEVNR-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.84
Rot. Bonds5

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

N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine (PubChem CID 65418172) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
PubChem CID65418172
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1c1nc(C)cnc1C
InChIInChI=1S/C16H28N4/c1-5-9-17-13(3)15-8-6-7-10-20(15)16-14(4)18-11-12(2)19-16/h11,13,15,17H,5-10H2,1-4H3
InChIKeyGAGJNBHDHIEVNR-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 63855102
N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 104605827
N-[1-[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63855261
N-ethyl-1-(1-pyrimidin-2-ylpiperidin-2-yl)ethanamine
CID 63854921
N-ethyl-1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanamine
CID 104729254
N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 104605826
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 55256480
N-[1-[1-(cyclopentylmethyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63854878
1-ethyl-3-[2-[1-(ethylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63854758
2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine
CID 70724831
N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63852769
N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63854876

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine (CID 65418172) is N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCCN1c1nc(C)cnc1C.
What is the InChIKey of N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
The InChIKey is GAGJNBHDHIEVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-9-17-13(3)15-8-6-7-10-20(15)16-14(4)18-11-12(2)19-16/h11,13,15,17H,5-10H2,1-4H3.
What are the key properties of N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65418172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).