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

C25H31FN4O — CID 177378142

IUPAC1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanamine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(C(N)Cc4ccc(C)cc4)CC3)c2n1
InChIInChI=1S/C25H31FN4O/c1-17-3-5-18(6-4-17)15-22(27)19-9-12-30(13-10-19)14-11-20-21(26)16-28-23-7-8-24(31-2)29-25(20)23/h3-8,16,19,22H,9-15,27H2,1-2H3
InChIKeyPXISXNSIKRMWET-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.91
Rot. Bonds7

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

1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanamine (PubChem CID 177378142) has the molecular formula C25H31FN4O and a molecular weight of 422.55 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)ethanamine.

Molecular Properties

Compound Name1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanamine
PubChem CID177378142
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC Name1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanamine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(C(N)Cc4ccc(C)cc4)CC3)c2n1
InChIInChI=1S/C25H31FN4O/c1-17-3-5-18(6-4-17)15-22(27)19-9-12-30(13-10-19)14-11-20-21(26)16-28-23-7-8-24(31-2)29-25(20)23/h3-8,16,19,22H,9-15,27H2,1-2H3
InChIKeyPXISXNSIKRMWET-UHFFFAOYSA-N
XLogP3.91
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.91
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)ethanamine?
The IUPAC name of 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanamine (CID 177378142) is 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanamine.
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)ethanamine?
The canonical SMILES for 1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanamine is COc1ccc2ncc(F)c(CCN3CCC(C(N)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)ethanamine?
The InChIKey is PXISXNSIKRMWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-17-3-5-18(6-4-17)15-22(27)19-9-12-30(13-10-19)14-11-20-21(26)16-28-23-7-8-24(31-2)29-25(20)23/h3-8,16,19,22H,9-15,27H2,1-2H3.
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)ethanamine?
1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)ethanamine has a molecular weight of 422.55 g/mol, XLogP of 3.91, 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)ethanamine is sourced from PubChem (CID 177378142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).