[4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol

C24H26FN3O2 — CID 139402261

IUPAC[4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCOC(c1ccccc1)(c1ccccc1)c1cncc(N2CCC(F)(CO)CC2)n1
InChIInChI=1S/C24H26FN3O2/c1-30-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)21-16-26-17-22(27-21)28-14-12-23(25,18-29)13-15-28/h2-11,16-17,29H,12-15,18H2,1H3
InChIKeyNMVYSHZTSFQWBD-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.72
Rot. Bonds6

About [4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol

[4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 139402261) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is [4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID139402261
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name[4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCOC(c1ccccc1)(c1ccccc1)c1cncc(N2CCC(F)(CO)CC2)n1
InChIInChI=1S/C24H26FN3O2/c1-30-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)21-16-26-17-22(27-21)28-14-12-23(25,18-29)13-15-28/h2-11,16-17,29H,12-15,18H2,1H3
InChIKeyNMVYSHZTSFQWBD-UHFFFAOYSA-N
XLogP3.72
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 139402261) is [4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol is COC(c1ccccc1)(c1ccccc1)c1cncc(N2CCC(F)(CO)CC2)n1.
What is the InChIKey of [4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is NMVYSHZTSFQWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-30-24(19-8-4-2-5-9-19,20-10-6-3-7-11-20)21-16-26-17-22(27-21)28-14-12-23(25,18-29)13-15-28/h2-11,16-17,29H,12-15,18H2,1H3.
What are the key properties of [4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol?
[4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 407.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-[6-[methoxy(diphenyl)methyl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 139402261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).