3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol

C26H29F2N3O — CID 134092162

IUPAC3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol
SMILESCC1(C)CC(Nc2cc(-c3cc(F)ccc3F)cc(-c3cccc(O)c3)n2)CC(C)(C)N1
InChIInChI=1S/C26H29F2N3O/c1-25(2)14-19(15-26(3,4)31-25)29-24-12-17(21-13-18(27)8-9-22(21)28)11-23(30-24)16-6-5-7-20(32)10-16/h5-13,19,31-32H,14-15H2,1-4H3,(H,29,30)
InChIKeyGBQVEYBMXKPZKR-UHFFFAOYSA-N
MW437.53 g/mol
LogP6.12
Rot. Bonds4

About 3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol

3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol (PubChem CID 134092162) has the molecular formula C26H29F2N3O and a molecular weight of 437.53 g/mol. Its IUPAC name is 3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol
PubChem CID134092162
Molecular FormulaC26H29F2N3O
Molecular Weight437.53 g/mol
Exact Mass437.23
IUPAC Name3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol
SMILESCC1(C)CC(Nc2cc(-c3cc(F)ccc3F)cc(-c3cccc(O)c3)n2)CC(C)(C)N1
InChIInChI=1S/C26H29F2N3O/c1-25(2)14-19(15-26(3,4)31-25)29-24-12-17(21-13-18(27)8-9-22(21)28)11-23(30-24)16-6-5-7-20(32)10-16/h5-13,19,31-32H,14-15H2,1-4H3,(H,29,30)
InChIKeyGBQVEYBMXKPZKR-UHFFFAOYSA-N
XLogP6.12
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.53
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol?
The IUPAC name of 3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol (CID 134092162) is 3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol.
What is the SMILES notation for 3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol?
The canonical SMILES for 3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol is CC1(C)CC(Nc2cc(-c3cc(F)ccc3F)cc(-c3cccc(O)c3)n2)CC(C)(C)N1.
What is the InChIKey of 3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol?
The InChIKey is GBQVEYBMXKPZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O/c1-25(2)14-19(15-26(3,4)31-25)29-24-12-17(21-13-18(27)8-9-22(21)28)11-23(30-24)16-6-5-7-20(32)10-16/h5-13,19,31-32H,14-15H2,1-4H3,(H,29,30).
What are the key properties of 3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol?
3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol has a molecular weight of 437.53 g/mol, XLogP of 6.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-difluorophenyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-pyridinyl]phenol is sourced from PubChem (CID 134092162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).