1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine

C16H18Cl2N4 — CID 118247966

IUPAC1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)cn2)CC1
InChIInChI=1S/C16H18Cl2N4/c1-16(19)5-7-22(8-6-16)14-10-20-13(9-21-14)11-3-2-4-12(17)15(11)18/h2-4,9-10H,5-8,19H2,1H3
InChIKeyYJISKINOWNRRNX-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.77
Rot. Bonds2

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

1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine (PubChem CID 118247966) has the molecular formula C16H18Cl2N4 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine
PubChem CID118247966
Molecular FormulaC16H18Cl2N4
Molecular Weight337.25 g/mol
Exact Mass336.09
IUPAC Name1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)cn2)CC1
InChIInChI=1S/C16H18Cl2N4/c1-16(19)5-7-22(8-6-16)14-10-20-13(9-21-14)11-3-2-4-12(17)15(11)18/h2-4,9-10H,5-8,19H2,1H3
InChIKeyYJISKINOWNRRNX-UHFFFAOYSA-N
XLogP3.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine (CID 118247966) is 1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)cn2)CC1.
What is the InChIKey of 1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is YJISKINOWNRRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4/c1-16(19)5-7-22(8-6-16)14-10-20-13(9-21-14)11-3-2-4-12(17)15(11)18/h2-4,9-10H,5-8,19H2,1H3.
What are the key properties of 1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine?
1-[5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 337.25 g/mol, XLogP of 3.77, 2 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)pyrazin-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 118247966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).