4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine

C42H73FN4 — CID 139317695

IUPAC4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(c2cc(F)c(C3CC(C)(C)NC(C)(C)C3)c(C3CC(C)(C)NC(C)(C)C3)c2C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H73FN4/c1-35(2)18-26(19-36(3,4)44-35)30-17-31(43)33(28-22-39(9,10)46-40(11,12)23-28)34(29-24-41(13,14)47-42(15,16)25-29)32(30)27-20-37(5,6)45-38(7,8)21-27/h17,26-29,44-47H,18-25H2,1-16H3
InChIKeySMEFNFQQPHZHIT-UHFFFAOYSA-N
MW653.07 g/mol
LogP9.92
Rot. Bonds4

About 4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine

4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 139317695) has the molecular formula C42H73FN4 and a molecular weight of 653.07 g/mol. Its IUPAC name is 4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine
PubChem CID139317695
Molecular FormulaC42H73FN4
Molecular Weight653.07 g/mol
Exact Mass652.58
IUPAC Name4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(c2cc(F)c(C3CC(C)(C)NC(C)(C)C3)c(C3CC(C)(C)NC(C)(C)C3)c2C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H73FN4/c1-35(2)18-26(19-36(3,4)44-35)30-17-31(43)33(28-22-39(9,10)46-40(11,12)23-28)34(29-24-41(13,14)47-42(15,16)25-29)32(30)27-20-37(5,6)45-38(7,8)21-27/h17,26-29,44-47H,18-25H2,1-16H3
InChIKeySMEFNFQQPHZHIT-UHFFFAOYSA-N
XLogP9.92
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.07
LogP ≤ 59.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine (CID 139317695) is 4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine is CC1(C)CC(c2cc(F)c(C3CC(C)(C)NC(C)(C)C3)c(C3CC(C)(C)NC(C)(C)C3)c2C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is SMEFNFQQPHZHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H73FN4/c1-35(2)18-26(19-36(3,4)44-35)30-17-31(43)33(28-22-39(9,10)46-40(11,12)23-28)34(29-24-41(13,14)47-42(15,16)25-29)32(30)27-20-37(5,6)45-38(7,8)21-27/h17,26-29,44-47H,18-25H2,1-16H3.
What are the key properties of 4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine?
4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 653.07 g/mol, XLogP of 9.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2,5,6-tris(2,2,6,6-tetramethylpiperidin-4-yl)phenyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 139317695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).