[4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol

C23H26FN3O — CID 28736325

IUPAC[4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol
SMILESCc1nc2ccccc2nc1CN1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C23H26FN3O/c1-17-22(26-21-8-3-2-7-20(21)25-17)15-27-11-9-23(16-28,10-12-27)14-18-5-4-6-19(24)13-18/h2-8,13,28H,9-12,14-16H2,1H3
InChIKeyCPZGFRZZSNJGFJ-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.89
Rot. Bonds5

About [4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol

[4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol (PubChem CID 28736325) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol
PubChem CID28736325
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name[4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol
SMILESCc1nc2ccccc2nc1CN1CCC(CO)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C23H26FN3O/c1-17-22(26-21-8-3-2-7-20(21)25-17)15-27-11-9-23(16-28,10-12-27)14-18-5-4-6-19(24)13-18/h2-8,13,28H,9-12,14-16H2,1H3
InChIKeyCPZGFRZZSNJGFJ-UHFFFAOYSA-N
XLogP3.89
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol (CID 28736325) is [4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol is Cc1nc2ccccc2nc1CN1CCC(CO)(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is CPZGFRZZSNJGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-17-22(26-21-8-3-2-7-20(21)25-17)15-27-11-9-23(16-28,10-12-27)14-18-5-4-6-19(24)13-18/h2-8,13,28H,9-12,14-16H2,1H3.
What are the key properties of [4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol?
[4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 379.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 28736325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).