6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C18H27F2N3O2 — CID 118036353

IUPAC6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCOC(OC)c1nc2c(cc1C1CCN(CC(F)F)CC1)CCCN2
InChIInChI=1S/C18H27F2N3O2/c1-24-18(25-2)16-14(10-13-4-3-7-21-17(13)22-16)12-5-8-23(9-6-12)11-15(19)20/h10,12,15,18H,3-9,11H2,1-2H3,(H,21,22)
InChIKeyBDFCTOWNGYVATK-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.18
Rot. Bonds6

About 6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 118036353) has the molecular formula C18H27F2N3O2 and a molecular weight of 355.43 g/mol. Its IUPAC name is 6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID118036353
Molecular FormulaC18H27F2N3O2
Molecular Weight355.43 g/mol
Exact Mass355.21
IUPAC Name6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCOC(OC)c1nc2c(cc1C1CCN(CC(F)F)CC1)CCCN2
InChIInChI=1S/C18H27F2N3O2/c1-24-18(25-2)16-14(10-13-4-3-7-21-17(13)22-16)12-5-8-23(9-6-12)11-15(19)20/h10,12,15,18H,3-9,11H2,1-2H3,(H,21,22)
InChIKeyBDFCTOWNGYVATK-UHFFFAOYSA-N
XLogP3.18
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 118036353) is 6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is COC(OC)c1nc2c(cc1C1CCN(CC(F)F)CC1)CCCN2.
What is the InChIKey of 6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is BDFCTOWNGYVATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O2/c1-24-18(25-2)16-14(10-13-4-3-7-21-17(13)22-16)12-5-8-23(9-6-12)11-15(19)20/h10,12,15,18H,3-9,11H2,1-2H3,(H,21,22).
What are the key properties of 6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 355.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 118036353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).