6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid

C30H30FN3O2 — CID 68903980

IUPAC6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(NCC1CCN(c2cccc(C(=O)O)n2)CC1c1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C30H30FN3O2/c1-20(23-12-6-9-21-8-2-3-10-24(21)23)32-18-22-16-17-34(29-15-7-14-28(33-29)30(35)36)19-26(22)25-11-4-5-13-27(25)31/h2-15,20,22,26,32H,16-19H2,1H3,(H,35,36)
InChIKeyFFHQTFKDRIXFGE-UHFFFAOYSA-N
MW483.59 g/mol
LogP6.03
Rot. Bonds7

About 6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 68903980) has the molecular formula C30H30FN3O2 and a molecular weight of 483.59 g/mol. Its IUPAC name is 6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID68903980
Molecular FormulaC30H30FN3O2
Molecular Weight483.59 g/mol
Exact Mass483.23
IUPAC Name6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(NCC1CCN(c2cccc(C(=O)O)n2)CC1c1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C30H30FN3O2/c1-20(23-12-6-9-21-8-2-3-10-24(21)23)32-18-22-16-17-34(29-15-7-14-28(33-29)30(35)36)19-26(22)25-11-4-5-13-27(25)31/h2-15,20,22,26,32H,16-19H2,1H3,(H,35,36)
InChIKeyFFHQTFKDRIXFGE-UHFFFAOYSA-N
XLogP6.03
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 68903980) is 6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid is CC(NCC1CCN(c2cccc(C(=O)O)n2)CC1c1ccccc1F)c1cccc2ccccc12.
What is the InChIKey of 6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is FFHQTFKDRIXFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O2/c1-20(23-12-6-9-21-8-2-3-10-24(21)23)32-18-22-16-17-34(29-15-7-14-28(33-29)30(35)36)19-26(22)25-11-4-5-13-27(25)31/h2-15,20,22,26,32H,16-19H2,1H3,(H,35,36).
What are the key properties of 6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 483.59 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 68903980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).