5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

C25H25FN2O3 — CID 89474843

IUPAC5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(OC(c3ccccc3)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C25H25FN2O3/c26-21-9-7-20(8-10-21)24(19-4-2-1-3-5-19)31-22-12-14-28(15-13-22)17-18-6-11-23(25(29)30)27-16-18/h1-11,16,22,24H,12-15,17H2,(H,29,30)
InChIKeyBQQZOPSOTIIFHK-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.69
Rot. Bonds7

About 5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid

5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 89474843) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
PubChem CID89474843
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(OC(c3ccccc3)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C25H25FN2O3/c26-21-9-7-20(8-10-21)24(19-4-2-1-3-5-19)31-22-12-14-28(15-13-22)17-18-6-11-23(25(29)30)27-16-18/h1-11,16,22,24H,12-15,17H2,(H,29,30)
InChIKeyBQQZOPSOTIIFHK-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

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CID 10657848
CID 10657848
CID 91759550
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CID 13518568
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CID 14540002
CID 14540002
CID 20313016
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CID 46316068
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CID 2381230
CID 2381230

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 89474843) is 5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CN2CCC(OC(c3ccccc3)c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is BQQZOPSOTIIFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-21-9-7-20(8-10-21)24(19-4-2-1-3-5-19)31-22-12-14-28(15-13-22)17-18-6-11-23(25(29)30)27-16-18/h1-11,16,22,24H,12-15,17H2,(H,29,30).
What are the key properties of 5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
5-[[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 5-[[4-[(4-fluorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 89474843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).