6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine

C16H19Cl2N5 — CID 118249464

IUPAC6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESNCC1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C16H19Cl2N5/c17-12-3-1-2-11(14(12)18)15-16(20)22-13(9-21-15)23-6-4-10(8-19)5-7-23/h1-3,9-10H,4-8,19H2,(H2,20,22)
InChIKeyRIVHGLWVVDJGBM-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.21
Rot. Bonds3

About 6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine

6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (PubChem CID 118249464) has the molecular formula C16H19Cl2N5 and a molecular weight of 352.27 g/mol. Its IUPAC name is 6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
PubChem CID118249464
Molecular FormulaC16H19Cl2N5
Molecular Weight352.27 g/mol
Exact Mass351.10
IUPAC Name6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESNCC1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C16H19Cl2N5/c17-12-3-1-2-11(14(12)18)15-16(20)22-13(9-21-15)23-6-4-10(8-19)5-7-23/h1-3,9-10H,4-8,19H2,(H2,20,22)
InChIKeyRIVHGLWVVDJGBM-UHFFFAOYSA-N
XLogP3.21
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (CID 118249464) is 6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is NCC1CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.
What is the InChIKey of 6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The InChIKey is RIVHGLWVVDJGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5/c17-12-3-1-2-11(14(12)18)15-16(20)22-13(9-21-15)23-6-4-10(8-19)5-7-23/h1-3,9-10H,4-8,19H2,(H2,20,22).
What are the key properties of 6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine has a molecular weight of 352.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 118249464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).