4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid

C19H21FN2O3 — CID 70780591

IUPAC4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
SMILESCc1cc(F)ccc1OC1(C(=O)O)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H21FN2O3/c1-14-12-16(20)2-3-17(14)25-19(18(23)24)6-10-22(11-7-19)13-15-4-8-21-9-5-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3,(H,23,24)
InChIKeyIUEXRZYVMRQPFV-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.03
Rot. Bonds5

About 4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid

4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 70780591) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
PubChem CID70780591
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
SMILESCc1cc(F)ccc1OC1(C(=O)O)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H21FN2O3/c1-14-12-16(20)2-3-17(14)25-19(18(23)24)6-10-22(11-7-19)13-15-4-8-21-9-5-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3,(H,23,24)
InChIKeyIUEXRZYVMRQPFV-UHFFFAOYSA-N
XLogP3.03
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hsr609
CID 3081352
(Z)-6-{2-[1-(4-Fluoro-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid
CID 44374697
(Z)-6-{2-[1-(2-Fluoro-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid
CID 44374981
(Z)-6-{2-[1-(3-Fluoro-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid
CID 44374982
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 110145959
US11214557, Example 37
CID 146257842
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
4-hydroxy-3-[C-methyl-N-(pyridin-4-ylmethyl)carbonimidoyl]chromen-2-one
CID 162649348
3-[4-(8-fluoro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]propanoic acid
CID 3081353
2-[2,6-Dimethyl-4-[[4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]phenoxy]-2-methylpropanoic acid
CID 176104531

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid (CID 70780591) is 4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid is Cc1cc(F)ccc1OC1(C(=O)O)CCN(Cc2ccncc2)CC1.
What is the InChIKey of 4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is IUEXRZYVMRQPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14-12-16(20)2-3-17(14)25-19(18(23)24)6-10-22(11-7-19)13-15-4-8-21-9-5-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3,(H,23,24).
What are the key properties of 4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70780591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).