2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride

C11H14ClF4N3 — CID 163385872

IUPAC2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride
SMILESCl.FC1(Cc2cnc(C(F)(F)F)cn2)CCNCC1
InChIInChI=1S/C11H13F4N3.ClH/c12-10(1-3-16-4-2-10)5-8-6-18-9(7-17-8)11(13,14)15;/h6-7,16H,1-5H2;1H
InChIKeyNBTFZZMKSWTXCO-UHFFFAOYSA-N
MW299.70 g/mol
LogP2.55
Rot. Bonds2

About 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride

2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride (PubChem CID 163385872) has the molecular formula C11H14ClF4N3 and a molecular weight of 299.70 g/mol. Its IUPAC name is 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride
PubChem CID163385872
Molecular FormulaC11H14ClF4N3
Molecular Weight299.70 g/mol
Exact Mass299.08
IUPAC Name2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride
SMILESCl.FC1(Cc2cnc(C(F)(F)F)cn2)CCNCC1
InChIInChI=1S/C11H13F4N3.ClH/c12-10(1-3-16-4-2-10)5-8-6-18-9(7-17-8)11(13,14)15;/h6-7,16H,1-5H2;1H
InChIKeyNBTFZZMKSWTXCO-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride?
The IUPAC name of 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride (CID 163385872) is 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride.
What is the SMILES notation for 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride?
The canonical SMILES for 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride is Cl.FC1(Cc2cnc(C(F)(F)F)cn2)CCNCC1.
What is the InChIKey of 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride?
The InChIKey is NBTFZZMKSWTXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3.ClH/c12-10(1-3-16-4-2-10)5-8-6-18-9(7-17-8)11(13,14)15;/h6-7,16H,1-5H2;1H.
What are the key properties of 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride?
2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride has a molecular weight of 299.70 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazine;hydrochloride is sourced from PubChem (CID 163385872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).