2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid

C19H21FN2O4 — CID 72911473

IUPAC2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCC(Oc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H21FN2O4/c1-25-17-7-2-13(12-21-17)18(19(23)24)22-10-8-16(9-11-22)26-15-5-3-14(20)4-6-15/h2-7,12,16,18H,8-11H2,1H3,(H,23,24)
InChIKeyCOZPIURDLWXQSX-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.90
Rot. Bonds6

About 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid

2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 72911473) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID72911473
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCC(Oc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H21FN2O4/c1-25-17-7-2-13(12-21-17)18(19(23)24)22-10-8-16(9-11-22)26-15-5-3-14(20)4-6-15/h2-7,12,16,18H,8-11H2,1H3,(H,23,24)
InChIKeyCOZPIURDLWXQSX-UHFFFAOYSA-N
XLogP2.90
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid with MolForge

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Related Compounds

Hsr609
CID 3081352
(3S,4S)-4-(3-Fluorophenoxy)-3-methyl-1-[(3-methylpyridin-2-YL)methyl]piperidin-3-OL
CID 110145959
Ethyl 4-(2-phenoxyethyl)-1-(4-pyridinylmethyl)-4-piperidinecarboxylate
CID 16187442
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol
CID 110146551
(3R,4R)-3-(3-fluorophenoxy)-4-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-ol
CID 110146554
3-[4-(8-fluoro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]propanoic acid
CID 3081353
2-[methyl-[(2R)-1-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
CID 117939782
2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
CID 122415289
(2S)-2-amino-4-[bis[(2-pyridin-2-yloxyphenyl)methyl]amino]butanoic acid
CID 127035846
US9872852, Example 210
CID 117942063
3-[4-(8-fluoro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]butanoic acid
CID 9977188
3-[4-(8-fluoro-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene)piperidin-1-yl]propanoic acid
CID 10067598

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid (CID 72911473) is 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid is COc1ccc(C(C(=O)O)N2CCC(Oc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is COZPIURDLWXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-25-17-7-2-13(12-21-17)18(19(23)24)22-10-8-16(9-11-22)26-15-5-3-14(20)4-6-15/h2-7,12,16,18H,8-11H2,1H3,(H,23,24).
What are the key properties of 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 360.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 72911473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).