3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile

C13H18N4 — CID 59598857

IUPAC3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC(C)C1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C13H18N4/c1-10(2)11-3-7-17(8-4-11)13-12(9-14)15-5-6-16-13/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeyRVHUWDDKEGVEPT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.22
Rot. Bonds2

About 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile

3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 59598857) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID59598857
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC(C)C1CCN(c2nccnc2C#N)CC1
InChIInChI=1S/C13H18N4/c1-10(2)11-3-7-17(8-4-11)13-12(9-14)15-5-6-16-13/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeyRVHUWDDKEGVEPT-UHFFFAOYSA-N
XLogP2.22
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 174276377
1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 62684699
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027
3-[4-(1-cyanopropyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 63343981
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346285
3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133284179
3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
CID 115307614
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348934
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 63241718
3-[3-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carbonitrile
CID 114961799
1-(3-propan-2-yloxypyrazin-2-yl)piperidine-4-carbonitrile
CID 133469208
5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 176693130

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile (CID 59598857) is 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile is CC(C)C1CCN(c2nccnc2C#N)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is RVHUWDDKEGVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)11-3-7-17(8-4-11)13-12(9-14)15-5-6-16-13/h5-6,10-11H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 59598857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).