4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

C25H25FN2O3 — CID 70648000

IUPAC4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(OC(c3ccccc3)c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C25H25FN2O3/c26-21-8-6-20(7-9-21)24(19-4-2-1-3-5-19)31-22-11-14-28(15-12-22)17-18-10-13-27-23(16-18)25(29)30/h1-10,13,16,22,24H,11-12,14-15,17H2,(H,29,30)
InChIKeyOHJQSPFRAJIFLI-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.69
Rot. Bonds7

About 4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 70648000) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
PubChem CID70648000
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(OC(c3ccccc3)c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C25H25FN2O3/c26-21-8-6-20(7-9-21)24(19-4-2-1-3-5-19)31-22-11-14-28(15-12-22)17-18-10-13-27-23(16-18)25(29)30/h1-10,13,16,22,24H,11-12,14-15,17H2,(H,29,30)
InChIKeyOHJQSPFRAJIFLI-UHFFFAOYSA-N
XLogP4.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Erymelanthine
CID 44570488
[4-(Pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 2394574
Vertilecanin A
CID 10263201
methyl 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylate
CID 10657848
4-(4-Fluorophenyl)pyridine-2-carboxylic acid
CID 18700254
Benzenemethanamine, alpha-phenyl-, 2-pyridinecarboxylate
CID 3075103
5-(4-Fluorophenyl)pyridine-2-carboxylic acid
CID 23120510
2-(4-{2-[(3-Fluorophenyl)methoxy]ethyl}piperidine-1-carbonyl)pyridine
CID 53150648
Methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate
CID 71918031
5-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 164612627
Penicolinate B
CID 71521892
Penicolinate D
CID 102430174

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 70648000) is 4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cc(CN2CCC(OC(c3ccccc3)c3ccc(F)cc3)CC2)ccn1.
What is the InChIKey of 4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is OHJQSPFRAJIFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-21-8-6-20(7-9-21)24(19-4-2-1-3-5-19)31-22-11-14-28(15-12-22)17-18-10-13-27-23(16-18)25(29)30/h1-10,13,16,22,24H,11-12,14-15,17H2,(H,29,30).
What are the key properties of 4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 420.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 70648000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).