5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline

C21H23N3O — CID 56901960

IUPAC5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline
SMILESc1ccc(COC2CCN(Cc3cccc4nccnc34)CC2)cc1
InChIInChI=1S/C21H23N3O/c1-2-5-17(6-3-1)16-25-19-9-13-24(14-10-19)15-18-7-4-8-20-21(18)23-12-11-22-20/h1-8,11-12,19H,9-10,13-16H2
InChIKeyJZAAFJVWICEYQJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.81
Rot. Bonds5

About 5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline

5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline (PubChem CID 56901960) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline.

Molecular Properties

Compound Name5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline
PubChem CID56901960
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline
SMILESc1ccc(COC2CCN(Cc3cccc4nccnc34)CC2)cc1
InChIInChI=1S/C21H23N3O/c1-2-5-17(6-3-1)16-25-19-9-13-24(14-10-19)15-18-7-4-8-20-21(18)23-12-11-22-20/h1-8,11-12,19H,9-10,13-16H2
InChIKeyJZAAFJVWICEYQJ-UHFFFAOYSA-N
XLogP3.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42164369
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline
CID 56893355
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444
2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77080998
2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 118782893
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
CID 56915979
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190
2-(3-phenylmethoxypyrrolidin-1-yl)acetaldehyde
CID 131071412
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine
CID 91829581

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline?
The IUPAC name of 5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline (CID 56901960) is 5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline.
What is the SMILES notation for 5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline?
The canonical SMILES for 5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline is c1ccc(COC2CCN(Cc3cccc4nccnc34)CC2)cc1.
What is the InChIKey of 5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline?
The InChIKey is JZAAFJVWICEYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-5-17(6-3-1)16-25-19-9-13-24(14-10-19)15-18-7-4-8-20-21(18)23-12-11-22-20/h1-8,11-12,19H,9-10,13-16H2.
What are the key properties of 5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline?
5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline has a molecular weight of 333.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline is sourced from PubChem (CID 56901960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).