2-chloro-3-(1-methylpiperidin-4-yl)pyrazine

C10H14ClN3 — CID 175662724

IUPAC2-chloro-3-(1-methylpiperidin-4-yl)pyrazine
SMILESCN1CCC(c2nccnc2Cl)CC1
InChIInChI=1S/C10H14ClN3/c1-14-6-2-8(3-7-14)9-10(11)13-5-4-12-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGAXMYOJSRQOYKY-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.94
Rot. Bonds1

About 2-chloro-3-(1-methylpiperidin-4-yl)pyrazine

2-chloro-3-(1-methylpiperidin-4-yl)pyrazine (PubChem CID 175662724) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-chloro-3-(1-methylpiperidin-4-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(1-methylpiperidin-4-yl)pyrazine
PubChem CID175662724
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-chloro-3-(1-methylpiperidin-4-yl)pyrazine
SMILESCN1CCC(c2nccnc2Cl)CC1
InChIInChI=1S/C10H14ClN3/c1-14-6-2-8(3-7-14)9-10(11)13-5-4-12-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGAXMYOJSRQOYKY-UHFFFAOYSA-N
XLogP1.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-methylpiperidin-4-yl)pyrazine?
The IUPAC name of 2-chloro-3-(1-methylpiperidin-4-yl)pyrazine (CID 175662724) is 2-chloro-3-(1-methylpiperidin-4-yl)pyrazine.
What is the SMILES notation for 2-chloro-3-(1-methylpiperidin-4-yl)pyrazine?
The canonical SMILES for 2-chloro-3-(1-methylpiperidin-4-yl)pyrazine is CN1CCC(c2nccnc2Cl)CC1.
What is the InChIKey of 2-chloro-3-(1-methylpiperidin-4-yl)pyrazine?
The InChIKey is GAXMYOJSRQOYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-14-6-2-8(3-7-14)9-10(11)13-5-4-12-9/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-3-(1-methylpiperidin-4-yl)pyrazine?
2-chloro-3-(1-methylpiperidin-4-yl)pyrazine has a molecular weight of 211.70 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-methylpiperidin-4-yl)pyrazine is sourced from PubChem (CID 175662724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).