1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine

C18H22Cl2N4 — CID 134182766

IUPAC1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine
SMILESCc1nc(CN2CCC(C)(N)CC2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N4/c1-12-17(14-4-3-5-15(19)16(14)20)22-10-13(23-12)11-24-8-6-18(2,21)7-9-24/h3-5,10H,6-9,11,21H2,1-2H3
InChIKeySXITYWUGJYRYIJ-UHFFFAOYSA-N
MW365.31 g/mol
LogP4.07
Rot. Bonds3

About 1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine

1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine (PubChem CID 134182766) has the molecular formula C18H22Cl2N4 and a molecular weight of 365.31 g/mol. Its IUPAC name is 1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine
PubChem CID134182766
Molecular FormulaC18H22Cl2N4
Molecular Weight365.31 g/mol
Exact Mass364.12
IUPAC Name1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine
SMILESCc1nc(CN2CCC(C)(N)CC2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N4/c1-12-17(14-4-3-5-15(19)16(14)20)22-10-13(23-12)11-24-8-6-18(2,21)7-9-24/h3-5,10H,6-9,11,21H2,1-2H3
InChIKeySXITYWUGJYRYIJ-UHFFFAOYSA-N
XLogP4.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 167432571
[1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium
CID 147973529
5-(2,3-dichlorophenyl)-6-methylpyrazin-2-amine
CID 142143814
2-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-amine
CID 156701788
3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine
CID 156701789
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 126480959
[1-[5-(2-chlorophenyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]azanium
CID 163821168
4-(aminomethyl)-1-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]piperidin-4-ol
CID 139309361
(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 91824802
[1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine
CID 164743866

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine (CID 134182766) is 1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine is Cc1nc(CN2CCC(C)(N)CC2)cnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine?
The InChIKey is SXITYWUGJYRYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4/c1-12-17(14-4-3-5-15(19)16(14)20)22-10-13(23-12)11-24-8-6-18(2,21)7-9-24/h3-5,10H,6-9,11,21H2,1-2H3.
What are the key properties of 1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine?
1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine has a molecular weight of 365.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 134182766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).