2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline

C22H28F3N5O — CID 23368040

IUPAC2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESFC(F)(F)c1ccnc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)c1
InChIInChI=1S/C22H28F3N5O/c23-22(24,25)17-7-8-26-20(15-17)30-12-10-29(11-13-30)9-3-4-14-31-21-16-27-18-5-1-2-6-19(18)28-21/h7-8,15-16H,1-6,9-14H2
InChIKeyPCVUEHGBSYEKPK-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.75
Rot. Bonds7

About 2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline

2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (PubChem CID 23368040) has the molecular formula C22H28F3N5O and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
PubChem CID23368040
Molecular FormulaC22H28F3N5O
Molecular Weight435.49 g/mol
Exact Mass435.22
IUPAC Name2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESFC(F)(F)c1ccnc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)c1
InChIInChI=1S/C22H28F3N5O/c23-22(24,25)17-7-8-26-20(15-17)30-12-10-29(11-13-30)9-3-4-14-31-21-16-27-18-5-1-2-6-19(18)28-21/h7-8,15-16H,1-6,9-14H2
InChIKeyPCVUEHGBSYEKPK-UHFFFAOYSA-N
XLogP3.75
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline 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-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (CID 23368040) is 2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is FC(F)(F)c1ccnc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)c1.
What is the InChIKey of 2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is PCVUEHGBSYEKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O/c23-22(24,25)17-7-8-26-20(15-17)30-12-10-29(11-13-30)9-3-4-14-31-21-16-27-18-5-1-2-6-19(18)28-21/h7-8,15-16H,1-6,9-14H2.
What are the key properties of 2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 435.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 23368040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).