2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine

C17H28N4 — CID 70724831

IUPAC2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC(C(C)N3CCCC3)CC2)n1
InChIInChI=1S/C17H28N4/c1-13-12-18-14(2)17(19-13)21-10-6-16(7-11-21)15(3)20-8-4-5-9-20/h12,15-16H,4-11H2,1-3H3
InChIKeyGRJXMPIPDRIYAY-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.79
Rot. Bonds3

About 2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine

2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine (PubChem CID 70724831) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine
PubChem CID70724831
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC(C(C)N3CCCC3)CC2)n1
InChIInChI=1S/C17H28N4/c1-13-12-18-14(2)17(19-13)21-10-6-16(7-11-21)15(3)20-8-4-5-9-20/h12,15-16H,4-11H2,1-3H3
InChIKeyGRJXMPIPDRIYAY-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-chloroethyl)piperidin-1-yl]-2,5-dimethylpyrazine
CID 106838567
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 65419285
1-(3,6-dimethylpyrazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 99855067
[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
CID 133470690
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724
1-(3,6-dimethylpyrazin-2-yl)-N,N-diethylpiperidine-4-carboxamide
CID 133469139
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile
CID 65417963
1-[2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethyl]azepane
CID 171910200
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone
CID 175648087
4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
CID 164632949

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine (CID 70724831) is 2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine is Cc1cnc(C)c(N2CCC(C(C)N3CCCC3)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine?
The InChIKey is GRJXMPIPDRIYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-12-18-14(2)17(19-13)21-10-6-16(7-11-21)15(3)20-8-4-5-9-20/h12,15-16H,4-11H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine?
2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine has a molecular weight of 288.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 70724831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).