[1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium

C17H22ClN4+ — CID 163821168

IUPAC[1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium
SMILESCc1nc(N2CCC(C)([NH3+])CC2)cnc1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN4/c1-12-16(13-5-3-4-6-14(13)18)20-11-15(21-12)22-9-7-17(2,19)8-10-22/h3-6,11H,7-10,19H2,1-2H3/p+1
InChIKeyNVNGEXSHHAWRSU-UHFFFAOYSA-O
MW317.84 g/mol
LogP2.71
Rot. Bonds2

About [1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium

[1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium (PubChem CID 163821168) has the molecular formula C17H22ClN4+ and a molecular weight of 317.84 g/mol. Its IUPAC name is [1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium.

Molecular Properties

Compound Name[1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium
PubChem CID163821168
Molecular FormulaC17H22ClN4+
Molecular Weight317.84 g/mol
Exact Mass317.15
IUPAC Name[1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium
SMILESCc1nc(N2CCC(C)([NH3+])CC2)cnc1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN4/c1-12-16(13-5-3-4-6-14(13)18)20-11-15(21-12)22-9-7-17(2,19)8-10-22/h3-6,11H,7-10,19H2,1-2H3/p+1
InChIKeyNVNGEXSHHAWRSU-UHFFFAOYSA-O
XLogP2.71
TPSA56.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium
CID 147973529
3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine
CID 134182766
(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 126480959
2-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-amine
CID 156701788
6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 118249470
1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(hydroxymethyl)piperidin-4-ol
CID 155766778
6-(4,9-diazadispiro[2.1.25.33]decan-9-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 163880923
5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole
CID 160877969
8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69173570
(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 91824802

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium?
The IUPAC name of [1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium (CID 163821168) is [1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium.
What is the SMILES notation for [1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium?
The canonical SMILES for [1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium is Cc1nc(N2CCC(C)([NH3+])CC2)cnc1-c1ccccc1Cl.
What is the InChIKey of [1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium?
The InChIKey is NVNGEXSHHAWRSU-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21ClN4/c1-12-16(13-5-3-4-6-14(13)18)20-11-15(21-12)22-9-7-17(2,19)8-10-22/h3-6,11H,7-10,19H2,1-2H3/p+1.
What are the key properties of [1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium?
[1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium has a molecular weight of 317.84 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium is sourced from PubChem (CID 163821168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).