4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine

C18H21F2N3 — CID 170175766

IUPAC4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine
SMILESCc1cc(N2CCC(Cc3ccc(F)cc3F)CC2)c(N)cn1
InChIInChI=1S/C18H21F2N3/c1-12-8-18(17(21)11-22-12)23-6-4-13(5-7-23)9-14-2-3-15(19)10-16(14)20/h2-3,8,10-11,13H,4-7,9,21H2,1H3
InChIKeyMTFHKFIBFWJUDD-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.71
Rot. Bonds3

About 4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine

4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine (PubChem CID 170175766) has the molecular formula C18H21F2N3 and a molecular weight of 317.38 g/mol. Its IUPAC name is 4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine.

Molecular Properties

Compound Name4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine
PubChem CID170175766
Molecular FormulaC18H21F2N3
Molecular Weight317.38 g/mol
Exact Mass317.17
IUPAC Name4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine
SMILESCc1cc(N2CCC(Cc3ccc(F)cc3F)CC2)c(N)cn1
InChIInChI=1S/C18H21F2N3/c1-12-8-18(17(21)11-22-12)23-6-4-13(5-7-23)9-14-2-3-15(19)10-16(14)20/h2-3,8,10-11,13H,4-7,9,21H2,1H3
InChIKeyMTFHKFIBFWJUDD-UHFFFAOYSA-N
XLogP3.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1Z,3E)-4-[4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methyl-3-pyridinyl]hepta-1,3-dienyl]methanimine
CID 170175784
4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine
CID 151889069
N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine
CID 118308506
1-[2-amino-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropane-1,2-diol
CID 177190913
4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-3-(2-ethylphenyl)benzonitrile
CID 170175792
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
CID 63971118
3-[2-(2,2-difluoroethyl)-3-pyridinyl]-4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]benzonitrile
CID 170175996
3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64505887
5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline
CID 105479559
[4-carbamoyl-2-[[1-(2,4-difluorophenyl)piperidin-4-yl]methyl]-6-methylpyrimidin-5-yl] acetate
CID 123740902
5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 118008416
methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate
CID 150983150

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine?
The IUPAC name of 4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine (CID 170175766) is 4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine.
What is the SMILES notation for 4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine?
The canonical SMILES for 4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine is Cc1cc(N2CCC(Cc3ccc(F)cc3F)CC2)c(N)cn1.
What is the InChIKey of 4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine?
The InChIKey is MTFHKFIBFWJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3/c1-12-8-18(17(21)11-22-12)23-6-4-13(5-7-23)9-14-2-3-15(19)10-16(14)20/h2-3,8,10-11,13H,4-7,9,21H2,1H3.
What are the key properties of 4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine?
4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine has a molecular weight of 317.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-6-methylpyridin-3-amine is sourced from PubChem (CID 170175766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).