1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid

C18H19FN2O2 — CID 122040854

IUPAC1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1
InChIInChI=1S/C18H19FN2O2/c19-17-10-14(13-5-7-20-8-6-13)3-4-15(17)11-21-9-1-2-16(12-21)18(22)23/h3-8,10,16H,1-2,9,11-12H2,(H,22,23)
InChIKeyJWIJUPPYKXLENW-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.18
Rot. Bonds4

About 1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid

1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 122040854) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID122040854
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1
InChIInChI=1S/C18H19FN2O2/c19-17-10-14(13-5-7-20-8-6-13)3-4-15(17)11-21-9-1-2-16(12-21)18(22)23/h3-8,10,16H,1-2,9,11-12H2,(H,22,23)
InChIKeyJWIJUPPYKXLENW-UHFFFAOYSA-N
XLogP3.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
N-[[1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 166211214
2-(2-fluoro-4-pyridin-4-ylphenyl)acetic acid
CID 46315787
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
1-[[1-(3,5-difluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 110278031
1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 43440688
(2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 97151710
(3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 129394063
(3R)-1-[(5-bromo-3-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166268296
(3S)-1-(isoquinolin-5-ylmethyl)piperidine-3-carboxylic acid
CID 125437616

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid (CID 122040854) is 1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1.
What is the InChIKey of 1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is JWIJUPPYKXLENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-17-10-14(13-5-7-20-8-6-13)3-4-15(17)11-21-9-1-2-16(12-21)18(22)23/h3-8,10,16H,1-2,9,11-12H2,(H,22,23).
What are the key properties of 1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid?
1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 314.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122040854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).