8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine

C21H24FN5O — CID 139712164

IUPAC8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine
SMILESFc1ccc(OC2CCN(CCc3nc4ncncc4[nH]3)CC2)c2c1CCC2
InChIInChI=1S/C21H24FN5O/c22-17-4-5-19(16-3-1-2-15(16)17)28-14-6-9-27(10-7-14)11-8-20-25-18-12-23-13-24-21(18)26-20/h4-5,12-14H,1-3,6-11H2,(H,23,24,25,26)
InChIKeyWIFTXLBNPYNACY-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.07
Rot. Bonds5

About 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine

8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine (PubChem CID 139712164) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine.

Molecular Properties

Compound Name8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine
PubChem CID139712164
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine
SMILESFc1ccc(OC2CCN(CCc3nc4ncncc4[nH]3)CC2)c2c1CCC2
InChIInChI=1S/C21H24FN5O/c22-17-4-5-19(16-3-1-2-15(16)17)28-14-6-9-27(10-7-14)11-8-20-25-18-12-23-13-24-21(18)26-20/h4-5,12-14H,1-3,6-11H2,(H,23,24,25,26)
InChIKeyWIFTXLBNPYNACY-UHFFFAOYSA-N
XLogP3.07
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine with MolForge

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Related Compounds

3-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]-N-methyl-N-pyridin-3-ylpropanamide
CID 139712203
3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide
CID 139712192
4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 139677462
6-(7H-purin-8-yl)hexan-1-amine
CID 114402076
4-(4-fluorophenoxy)-1-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 131950223
2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 53307996
1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56863769
6-(1-butylpiperidin-4-yl)oxy-7-fluoroisoquinoline;hydrochloride
CID 86252407
6-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one
CID 22248301
4-(4-fluorophenoxy)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 167746466
1-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidine
CID 139677487
7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162313711

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine?
The IUPAC name of 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine (CID 139712164) is 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine.
What is the SMILES notation for 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine?
The canonical SMILES for 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine is Fc1ccc(OC2CCN(CCc3nc4ncncc4[nH]3)CC2)c2c1CCC2.
What is the InChIKey of 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine?
The InChIKey is WIFTXLBNPYNACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c22-17-4-5-19(16-3-1-2-15(16)17)28-14-6-9-27(10-7-14)11-8-20-25-18-12-23-13-24-21(18)26-20/h4-5,12-14H,1-3,6-11H2,(H,23,24,25,26).
What are the key properties of 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine?
8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine has a molecular weight of 381.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine is sourced from PubChem (CID 139712164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).