1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol

C25H30FN3O2 — CID 177378141

IUPAC1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol
SMILESCOc1ccc2ncc(F)c(CCN3CCC(C(O)Cc4ccc(C)cc4)CC3)c2n1
InChIInChI=1S/C25H30FN3O2/c1-17-3-5-18(6-4-17)15-23(30)19-9-12-29(13-10-19)14-11-20-21(26)16-27-22-7-8-24(31-2)28-25(20)22/h3-8,16,19,23,30H,9-15H2,1-2H3
InChIKeyCYZXIGIUUJGEAZ-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.94
Rot. Bonds7

About 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol

1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol (PubChem CID 177378141) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol
PubChem CID177378141
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol
SMILESCOc1ccc2ncc(F)c(CCN3CCC(C(O)Cc4ccc(C)cc4)CC3)c2n1
InChIInChI=1S/C25H30FN3O2/c1-17-3-5-18(6-4-17)15-23(30)19-9-12-29(13-10-19)14-11-20-21(26)16-27-22-7-8-24(31-2)28-25(20)22/h3-8,16,19,23,30H,9-15H2,1-2H3
InChIKeyCYZXIGIUUJGEAZ-UHFFFAOYSA-N
XLogP3.94
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol (CID 177378141) is 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol is COc1ccc2ncc(F)c(CCN3CCC(C(O)Cc4ccc(C)cc4)CC3)c2n1.
What is the InChIKey of 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol?
The InChIKey is CYZXIGIUUJGEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-17-3-5-18(6-4-17)15-23(30)19-9-12-29(13-10-19)14-11-20-21(26)16-27-22-7-8-24(31-2)28-25(20)22/h3-8,16,19,23,30H,9-15H2,1-2H3.
What are the key properties of 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol?
1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol has a molecular weight of 423.53 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 177378141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).