2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid

C20H24N2O4 — CID 56746995

IUPAC2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCc1ccc(C2(O)CCN(Cc3ccccc3OCC(=O)O)CC2)nc1
InChIInChI=1S/C20H24N2O4/c1-15-6-7-18(21-12-15)20(25)8-10-22(11-9-20)13-16-4-2-3-5-17(16)26-14-19(23)24/h2-7,12,25H,8-11,13-14H2,1H3,(H,23,24)
InChIKeyKURKKJODRBYJDR-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid

2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 56746995) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID56746995
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCc1ccc(C2(O)CCN(Cc3ccccc3OCC(=O)O)CC2)nc1
InChIInChI=1S/C20H24N2O4/c1-15-6-7-18(21-12-15)20(25)8-10-22(11-9-20)13-16-4-2-3-5-17(16)26-14-19(23)24/h2-7,12,25H,8-11,13-14H2,1H3,(H,23,24)
InChIKeyKURKKJODRBYJDR-UHFFFAOYSA-N
XLogP2.34
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56752658
1-[(2-amino-3-pyridinyl)methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
CID 56742663
2-[2-[(2-methyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]acetic acid
CID 70706893
2-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77088349
4-(5-methyl-2-pyridinyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 91843452
4-(5-methyl-2-pyridinyl)-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-ol
CID 138806620
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid
CID 56895920
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
2-[2-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 70762122
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
CID 56741579
2-[2-[[(4aS,9aS)-3-oxo-4a,5,6,8,9,9a-hexahydro-4H-[1,4]oxazino[2,3-d]azepin-7-yl]methyl]phenoxy]acetic acid
CID 110127105

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid (CID 56746995) is 2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid is Cc1ccc(C2(O)CCN(Cc3ccccc3OCC(=O)O)CC2)nc1.
What is the InChIKey of 2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is KURKKJODRBYJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15-6-7-18(21-12-15)20(25)8-10-22(11-9-20)13-16-4-2-3-5-17(16)26-14-19(23)24/h2-7,12,25H,8-11,13-14H2,1H3,(H,23,24).
What are the key properties of 2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 356.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 56746995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).