4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol

C24H25FN6O — CID 19785252

IUPAC4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCC(Nc3nc4ncncc4n3Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H25FN6O/c25-19-5-1-18(2-6-19)15-31-22-13-26-16-27-23(22)29-24(31)28-20-9-11-30(12-10-20)14-17-3-7-21(32)8-4-17/h1-8,13,16,20,32H,9-12,14-15H2,(H,26,27,28,29)
InChIKeyQCEANUKCJLXGOR-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.80
Rot. Bonds6

About 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol

4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol (PubChem CID 19785252) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol
PubChem CID19785252
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol
SMILESOc1ccc(CN2CCC(Nc3nc4ncncc4n3Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H25FN6O/c25-19-5-1-18(2-6-19)15-31-22-13-26-16-27-23(22)29-24(31)28-20-9-11-30(12-10-20)14-17-3-7-21(32)8-4-17/h1-8,13,16,20,32H,9-12,14-15H2,(H,26,27,28,29)
InChIKeyQCEANUKCJLXGOR-UHFFFAOYSA-N
XLogP3.80
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol with MolForge

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Related Compounds

N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
N-[1-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-ylidene]hydroxylamine
CID 151889884
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
3-[2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 67878780
1-[(4-fluorophenyl)methyl]-N-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]benzimidazol-2-amine
CID 12891548
N-[1-(4-aminobutyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine;trihydrochloride
CID 156621011
N-[1-(3-anilinopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891570
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-prop-2-enoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260504
2-amino-N-[2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]ethyl]benzamide
CID 19785273
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5,6-dimethylbenzimidazol-2-amine
CID 58580490

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol (CID 19785252) is 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol is Oc1ccc(CN2CCC(Nc3nc4ncncc4n3Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol?
The InChIKey is QCEANUKCJLXGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c25-19-5-1-18(2-6-19)15-31-22-13-26-16-27-23(22)29-24(31)28-20-9-11-30(12-10-20)14-17-3-7-21(32)8-4-17/h1-8,13,16,20,32H,9-12,14-15H2,(H,26,27,28,29).
What are the key properties of 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol?
4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol has a molecular weight of 432.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[7-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 19785252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).