[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol

C17H20Cl2N4O — CID 138544429

IUPAC[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol
SMILESCC1(N)CCN(c2ncc(-c3cccc(Cl)c3Cl)nc2CO)CC1
InChIInChI=1S/C17H20Cl2N4O/c1-17(20)5-7-23(8-6-17)16-14(10-24)22-13(9-21-16)11-3-2-4-12(18)15(11)19/h2-4,9,24H,5-8,10,20H2,1H3
InChIKeyITCIAAYTZNZZQN-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.26
Rot. Bonds3

About [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol

[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol (PubChem CID 138544429) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol
PubChem CID138544429
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol
SMILESCC1(N)CCN(c2ncc(-c3cccc(Cl)c3Cl)nc2CO)CC1
InChIInChI=1S/C17H20Cl2N4O/c1-17(20)5-7-23(8-6-17)16-14(10-24)22-13(9-21-16)11-3-2-4-12(18)15(11)19/h2-4,9,24H,5-8,10,20H2,1H3
InChIKeyITCIAAYTZNZZQN-UHFFFAOYSA-N
XLogP3.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol?
The IUPAC name of [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol (CID 138544429) is [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol.
What is the SMILES notation for [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol?
The canonical SMILES for [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol is CC1(N)CCN(c2ncc(-c3cccc(Cl)c3Cl)nc2CO)CC1.
What is the InChIKey of [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol?
The InChIKey is ITCIAAYTZNZZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-17(20)5-7-23(8-6-17)16-14(10-24)22-13(9-21-16)11-3-2-4-12(18)15(11)19/h2-4,9,24H,5-8,10,20H2,1H3.
What are the key properties of [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol?
[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol has a molecular weight of 367.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol is sourced from PubChem (CID 138544429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).