6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine

C11H12F3N5 — CID 94022802

IUPAC6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine
SMILESFC(F)(F)[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)7-2-1-3-19(4-7)10-8-9(16-5-15-8)17-6-18-10/h5-7H,1-4H2,(H,15,16,17,18)/t7-/m1/s1
InChIKeyYEIBBLIJDRVHFH-SSDOTTSWSA-N
MW271.25 g/mol
LogP2.13
Rot. Bonds1

About 6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine

6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine (PubChem CID 94022802) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine
PubChem CID94022802
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine
SMILESFC(F)(F)[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)7-2-1-3-19(4-7)10-8-9(16-5-15-8)17-6-18-10/h5-7H,1-4H2,(H,15,16,17,18)/t7-/m1/s1
InChIKeyYEIBBLIJDRVHFH-SSDOTTSWSA-N
XLogP2.13
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
6-[(3S)-3-ethylsulfanylazepan-1-yl]-7H-purine
CID 95622987
6-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-7H-purine
CID 167781309
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
N-methyl-3-(7H-purin-6-ylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]benzenesulfonamide
CID 67996595
6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine
CID 56757235
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553426
[1-[[(3R)-1-(7H-purin-6-yl)piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 95215759

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine?
The IUPAC name of 6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine (CID 94022802) is 6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine?
The canonical SMILES for 6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine is FC(F)(F)[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of 6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine?
The InChIKey is YEIBBLIJDRVHFH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12F3N5/c12-11(13,14)7-2-1-3-19(4-7)10-8-9(16-5-15-8)17-6-18-10/h5-7H,1-4H2,(H,15,16,17,18)/t7-/m1/s1.
What are the key properties of 6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine?
6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine has a molecular weight of 271.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine is sourced from PubChem (CID 94022802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).