5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol

C24H26FN3O — CID 72943394

IUPAC5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol
SMILESCc1cc(F)cc(-c2cncc(-c3ccc(C)c(O)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H26FN3O/c1-15-9-18(11-19(25)10-15)22-14-27-13-21(17-4-3-16(2)23(29)12-17)24(22)28-7-5-20(26)6-8-28/h3-4,9-14,20,29H,5-8,26H2,1-2H3
InChIKeyLJHJPFJKHMHVJX-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.80
Rot. Bonds3

About 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol

5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol (PubChem CID 72943394) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol.

Molecular Properties

Compound Name5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol
PubChem CID72943394
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol
SMILESCc1cc(F)cc(-c2cncc(-c3ccc(C)c(O)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H26FN3O/c1-15-9-18(11-19(25)10-15)22-14-27-13-21(17-4-3-16(2)23(29)12-17)24(22)28-7-5-20(26)6-8-28/h3-4,9-14,20,29H,5-8,26H2,1-2H3
InChIKeyLJHJPFJKHMHVJX-UHFFFAOYSA-N
XLogP4.80
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-Aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol
CID 140836984
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyridinyl]phenol
CID 117071998
2-[[(1-Benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
CID 135971342
3-[[4-[4-[[4-(Dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]phenyl]methylamino]phenol bromide
CID 72696087
3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-(2-Piperidin-2-ylethyl)-5-pyridin-4-ylphenol
CID 56863870
3-(2-Piperidin-2-ylethyl)-5-pyridin-3-ylphenol
CID 56869160
2-[2-(4-Fluorophenyl)-6-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
CID 135506179
3-[4-(4-Aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]phenol
CID 171349150
US20240216357, Example 67
CID 172055971
3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol
CID 124574212
2-(4-fluorophenyl)-1-[(4-pyridin-4-ylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 9953375

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol?
The IUPAC name of 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol (CID 72943394) is 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol.
What is the SMILES notation for 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol?
The canonical SMILES for 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol is Cc1cc(F)cc(-c2cncc(-c3ccc(C)c(O)c3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol?
The InChIKey is LJHJPFJKHMHVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-15-9-18(11-19(25)10-15)22-14-27-13-21(17-4-3-16(2)23(29)12-17)24(22)28-7-5-20(26)6-8-28/h3-4,9-14,20,29H,5-8,26H2,1-2H3.
What are the key properties of 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol?
5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol has a molecular weight of 391.49 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-2-methylphenol is sourced from PubChem (CID 72943394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).