6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid

C24H24FN3O2 — CID 89474500

IUPAC6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C24H24FN3O2/c25-21-9-6-19(7-10-21)23(18-4-2-1-3-5-18)28-14-12-27(13-15-28)17-22-11-8-20(16-26-22)24(29)30/h1-11,16,23H,12-15,17H2,(H,29,30)
InChIKeyUEFGUHAXZHCFLN-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.83
Rot. Bonds6

About 6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid

6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 89474500) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID89474500
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C24H24FN3O2/c25-21-9-6-19(7-10-21)23(18-4-2-1-3-5-18)28-14-12-27(13-15-28)17-22-11-8-20(16-26-22)24(29)30/h1-11,16,23H,12-15,17H2,(H,29,30)
InChIKeyUEFGUHAXZHCFLN-UHFFFAOYSA-N
XLogP3.83
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid (CID 89474500) is 6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of 6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is UEFGUHAXZHCFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-21-9-6-19(7-10-21)23(18-4-2-1-3-5-18)28-14-12-27(13-15-28)17-22-11-8-20(16-26-22)24(29)30/h1-11,16,23H,12-15,17H2,(H,29,30).
What are the key properties of 6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid?
6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 405.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 89474500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).