6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride

C15H24Cl2FN3 — CID 119932660

IUPAC6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride
SMILESCN1CCN(CC2CCNCC2)c2ccc(F)cc21.Cl.Cl
InChIInChI=1S/C15H22FN3.2ClH/c1-18-8-9-19(11-12-4-6-17-7-5-12)14-3-2-13(16)10-15(14)18;;/h2-3,10,12,17H,4-9,11H2,1H3;2*1H
InChIKeyBWEIOEGDDKXUMK-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.93
Rot. Bonds2

About 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride

6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride (PubChem CID 119932660) has the molecular formula C15H24Cl2FN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride.

Molecular Properties

Compound Name6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride
PubChem CID119932660
Molecular FormulaC15H24Cl2FN3
Molecular Weight336.28 g/mol
Exact Mass335.13
IUPAC Name6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride
SMILESCN1CCN(CC2CCNCC2)c2ccc(F)cc21.Cl.Cl
InChIInChI=1S/C15H22FN3.2ClH/c1-18-8-9-19(11-12-4-6-17-7-5-12)14-3-2-13(16)10-15(14)18;;/h2-3,10,12,17H,4-9,11H2,1H3;2*1H
InChIKeyBWEIOEGDDKXUMK-UHFFFAOYSA-N
XLogP2.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride
CID 120856024
7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride
CID 119931834
4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278
(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119899705
6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione
CID 84638791
1,4-dimethyl-6-piperidin-4-yl-2,3-dihydroquinoxaline
CID 117366278
1,4-dimethyl-5-(piperidin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine
CID 119932653
7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 117031103
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline
CID 166553115
4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119931475
1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride?
The IUPAC name of 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride (CID 119932660) is 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride.
What is the SMILES notation for 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride?
The canonical SMILES for 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride is CN1CCN(CC2CCNCC2)c2ccc(F)cc21.Cl.Cl.
What is the InChIKey of 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride?
The InChIKey is BWEIOEGDDKXUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3.2ClH/c1-18-8-9-19(11-12-4-6-17-7-5-12)14-3-2-13(16)10-15(14)18;;/h2-3,10,12,17H,4-9,11H2,1H3;2*1H.
What are the key properties of 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride?
6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride has a molecular weight of 336.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride is sourced from PubChem (CID 119932660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).