2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine

C17H20ClN3 — CID 50977546

IUPAC2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine
SMILESCC(c1ccc(-c2cnc(Cl)cn2)cc1)N1CCCCC1
InChIInChI=1S/C17H20ClN3/c1-13(21-9-3-2-4-10-21)14-5-7-15(8-6-14)16-11-20-17(18)12-19-16/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyCADJLMVFELUGRD-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.34
Rot. Bonds3

About 2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine

2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine (PubChem CID 50977546) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine
PubChem CID50977546
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine
SMILESCC(c1ccc(-c2cnc(Cl)cn2)cc1)N1CCCCC1
InChIInChI=1S/C17H20ClN3/c1-13(21-9-3-2-4-10-21)14-5-7-15(8-6-14)16-11-20-17(18)12-19-16/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyCADJLMVFELUGRD-UHFFFAOYSA-N
XLogP4.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine?
The IUPAC name of 2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine (CID 50977546) is 2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine?
The canonical SMILES for 2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine is CC(c1ccc(-c2cnc(Cl)cn2)cc1)N1CCCCC1.
What is the InChIKey of 2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine?
The InChIKey is CADJLMVFELUGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-13(21-9-3-2-4-10-21)14-5-7-15(8-6-14)16-11-20-17(18)12-19-16/h5-8,11-13H,2-4,9-10H2,1H3.
What are the key properties of 2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine?
2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine has a molecular weight of 301.82 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine is sourced from PubChem (CID 50977546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).