1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine

C13H14F2N4 — CID 170331623

IUPAC1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine
SMILESNc1cc2ccncc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H14F2N4/c14-13(15)2-5-19(6-3-13)12-10-8-17-4-1-9(10)7-11(16)18-12/h1,4,7-8H,2-3,5-6H2,(H2,16,18)
InChIKeyBTEJDPRYLVYEDZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.45
Rot. Bonds1

About 1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine

1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine (PubChem CID 170331623) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine
PubChem CID170331623
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine
SMILESNc1cc2ccncc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H14F2N4/c14-13(15)2-5-19(6-3-13)12-10-8-17-4-1-9(10)7-11(16)18-12/h1,4,7-8H,2-3,5-6H2,(H2,16,18)
InChIKeyBTEJDPRYLVYEDZ-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-2,7-naphthyridin-3-amine
CID 171481354
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
ethyl 2-(4,4-difluoroazepan-1-yl)-1,7-naphthyridine-3-carboxylate
CID 169263973
2-[2-(4,4-difluoroazepan-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-1H-1,6-naphthyridin-4-one
CID 169249533
5-(4,4-difluoropiperidin-1-yl)pyridin-3-amine
CID 176901178
2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
CID 148519917
8-aminoisoquinoline-6-carboxylic acid
CID 84661389
6-(4,4-difluoropiperidin-1-yl)-5-(1-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 177342533
4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163348985
8-(4,4-difluoropiperidin-1-yl)quinolin-6-amine
CID 170328485
6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine
CID 156565881
5-(6-amino-3-pyridinyl)-4-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 70671706

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine (CID 170331623) is 1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine is Nc1cc2ccncc2c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine?
The InChIKey is BTEJDPRYLVYEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c14-13(15)2-5-19(6-3-13)12-10-8-17-4-1-9(10)7-11(16)18-12/h1,4,7-8H,2-3,5-6H2,(H2,16,18).
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine?
1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine has a molecular weight of 264.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2,7-naphthyridin-3-amine is sourced from PubChem (CID 170331623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).