2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine

C11H15ClFN3 — CID 121201057

IUPAC2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine
SMILESFCCC1CCN(c2nccnc2Cl)CC1
InChIInChI=1S/C11H15ClFN3/c12-10-11(15-6-5-14-10)16-7-2-9(1-4-13)3-8-16/h5-6,9H,1-4,7-8H2
InChIKeyJCHGAUQPCUKYRV-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.71
Rot. Bonds3

About 2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine

2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine (PubChem CID 121201057) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine
PubChem CID121201057
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine
SMILESFCCC1CCN(c2nccnc2Cl)CC1
InChIInChI=1S/C11H15ClFN3/c12-10-11(15-6-5-14-10)16-7-2-9(1-4-13)3-8-16/h5-6,9H,1-4,7-8H2
InChIKeyJCHGAUQPCUKYRV-UHFFFAOYSA-N
XLogP2.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine (CID 121201057) is 2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine is FCCC1CCN(c2nccnc2Cl)CC1.
What is the InChIKey of 2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine?
The InChIKey is JCHGAUQPCUKYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c12-10-11(15-6-5-14-10)16-7-2-9(1-4-13)3-8-16/h5-6,9H,1-4,7-8H2.
What are the key properties of 2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine?
2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine has a molecular weight of 243.71 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-(2-fluoroethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 121201057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).