2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid

C20H24N2O3 — CID 132770437

IUPAC2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CN1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C20H24N2O3/c23-20(24)15-25-19-9-2-1-7-17(19)14-22-11-5-6-16(13-22)12-18-8-3-4-10-21-18/h1-4,7-10,16H,5-6,11-15H2,(H,23,24)
InChIKeyREMJQVYXTYKMMI-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.00
Rot. Bonds7

About 2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid

2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 132770437) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID132770437
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CN1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C20H24N2O3/c23-20(24)15-25-19-9-2-1-7-17(19)14-22-11-5-6-16(13-22)12-18-8-3-4-10-21-18/h1-4,7-10,16H,5-6,11-15H2,(H,23,24)
InChIKeyREMJQVYXTYKMMI-UHFFFAOYSA-N
XLogP3.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 125017599
2-[2-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99930028
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
2-[2-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenoxy]acetic acid
CID 56718402
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
2-[2-[[(3S)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 124991035
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid (CID 132770437) is 2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1CN1CCCC(Cc2ccccn2)C1.
What is the InChIKey of 2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is REMJQVYXTYKMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(24)15-25-19-9-2-1-7-17(19)14-22-11-5-6-16(13-22)12-18-8-3-4-10-21-18/h1-4,7-10,16H,5-6,11-15H2,(H,23,24).
What are the key properties of 2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 340.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 132770437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).