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

C24H26FN3O2 — CID 90070209

IUPAC5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol
SMILESCOc1cc(F)cc(-c2cncc(-c3ccc(C)c(O)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H26FN3O2/c1-15-3-4-16(11-23(15)29)21-13-27-14-22(17-9-18(25)12-20(10-17)30-2)24(21)28-7-5-19(26)6-8-28/h3-4,9-14,19,29H,5-8,26H2,1-2H3
InChIKeyVTIJMXZMDIKIAY-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.50
Rot. Bonds4

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

5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol (PubChem CID 90070209) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol.

Molecular Properties

Compound Name5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol
PubChem CID90070209
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol
SMILESCOc1cc(F)cc(-c2cncc(-c3ccc(C)c(O)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H26FN3O2/c1-15-3-4-16(11-23(15)29)21-13-27-14-22(17-9-18(25)12-20(10-17)30-2)24(21)28-7-5-19(26)6-8-28/h3-4,9-14,19,29H,5-8,26H2,1-2H3
InChIKeyVTIJMXZMDIKIAY-UHFFFAOYSA-N
XLogP4.50
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol?
The IUPAC name of 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol (CID 90070209) is 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol.
What is the SMILES notation for 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol?
The canonical SMILES for 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol is COc1cc(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-methoxyphenyl)-3-pyridinyl]-2-methylphenol?
The InChIKey is VTIJMXZMDIKIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-15-3-4-16(11-23(15)29)21-13-27-14-22(17-9-18(25)12-20(10-17)30-2)24(21)28-7-5-19(26)6-8-28/h3-4,9-14,19,29H,5-8,26H2,1-2H3.
What are the key properties of 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol?
5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol has a molecular weight of 407.49 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminopiperidin-1-yl)-5-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-2-methylphenol is sourced from PubChem (CID 90070209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).