2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C34H43ClN2O4 — CID 134610983

About 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 134610983) has the molecular formula C34H43ClN2O4 and a molecular weight of 579.18 g/mol. Its IUPAC name is 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 134610983
• Molecular Formula: C34H43ClN2O4
• Molecular Weight: 579.18 g/mol
• Exact Mass: 578.29
• IUPAC Name: 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1cc(OCc2ccc(-c3c(C)nc(C)c(C(OC(C)(C)C)C(=O)O)c3N3CCC(C)(C)CC3)cc2)ccc1Cl
• InChI: InChI=1S/C34H43ClN2O4/c1-21-19-26(13-14-27(21)35)40-20-24-9-11-25(12-10-24)28-22(2)36-23(3)29(31(32(38)39)41-33(4,5)6)30(28)37-17-15-34(7,8)16-18-37/h9-14,19,31H,15-18,20H2,1-8H3,(H,38,39)
• InChIKey: MDWTYUVCNLWKGE-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 71.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.18
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 134610983) is 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc(OCc2ccc(-c3c(C)nc(C)c(C(OC(C)(C)C)C(=O)O)c3N3CCC(C)(C)CC3)cc2)ccc1Cl.

What is the InChIKey of 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is MDWTYUVCNLWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43ClN2O4/c1-21-19-26(13-14-27(21)35)40-20-24-9-11-25(12-10-24)28-22(2)36-23(3)29(31(32(38)39)41-33(4,5)6)30(28)37-17-15-34(7,8)16-18-37/h9-14,19,31H,15-18,20H2,1-8H3,(H,38,39).

What are the key properties of 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 579.18 g/mol, XLogP of 8.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 134610983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).