2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline

C18H21N5 — CID 86773032

IUPAC2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline
SMILESCCn1cc(C2CCN(c3cnc4ccccc4n3)CC2)cn1
InChIInChI=1S/C18H21N5/c1-2-23-13-15(11-20-23)14-7-9-22(10-8-14)18-12-19-16-5-3-4-6-17(16)21-18/h3-6,11-14H,2,7-10H2,1H3
InChIKeyFTYCUBCTHQFHFD-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.23
Rot. Bonds3

About 2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline

2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline (PubChem CID 86773032) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline
PubChem CID86773032
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline
SMILESCCn1cc(C2CCN(c3cnc4ccccc4n3)CC2)cn1
InChIInChI=1S/C18H21N5/c1-2-23-13-15(11-20-23)14-7-9-22(10-8-14)18-12-19-16-5-3-4-6-17(16)21-18/h3-6,11-14H,2,7-10H2,1H3
InChIKeyFTYCUBCTHQFHFD-UHFFFAOYSA-N
XLogP3.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline?
The IUPAC name of 2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline (CID 86773032) is 2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline is CCn1cc(C2CCN(c3cnc4ccccc4n3)CC2)cn1.
What is the InChIKey of 2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline?
The InChIKey is FTYCUBCTHQFHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-23-13-15(11-20-23)14-7-9-22(10-8-14)18-12-19-16-5-3-4-6-17(16)21-18/h3-6,11-14H,2,7-10H2,1H3.
What are the key properties of 2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline?
2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline has a molecular weight of 307.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline is sourced from PubChem (CID 86773032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).