N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine

C17H17F4N3O — CID 133372597

IUPACN-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine
SMILESCOc1cccc(NC2CCN(c3c(F)c(F)nc(F)c3F)CC2)c1
InChIInChI=1S/C17H17F4N3O/c1-25-12-4-2-3-11(9-12)22-10-5-7-24(8-6-10)15-13(18)16(20)23-17(21)14(15)19/h2-4,9-10,22H,5-8H2,1H3
InChIKeyOFLIVLCOTRTFFX-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.73
Rot. Bonds4

About N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine

N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine (PubChem CID 133372597) has the molecular formula C17H17F4N3O and a molecular weight of 355.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine
PubChem CID133372597
Molecular FormulaC17H17F4N3O
Molecular Weight355.34 g/mol
Exact Mass355.13
IUPAC NameN-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine
SMILESCOc1cccc(NC2CCN(c3c(F)c(F)nc(F)c3F)CC2)c1
InChIInChI=1S/C17H17F4N3O/c1-25-12-4-2-3-11(9-12)22-10-5-7-24(8-6-10)15-13(18)16(20)23-17(21)14(15)19/h2-4,9-10,22H,5-8H2,1H3
InChIKeyOFLIVLCOTRTFFX-UHFFFAOYSA-N
XLogP3.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methoxyphenyl)piperidin-4-amine
CID 133460647
N-(4,4-difluorocyclohexyl)-3-methoxyaniline
CID 171662901
(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone
CID 100616310
N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine
CID 138027618
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
CID 3570393
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine
CID 75439321
tert-butyl 4-(3-methoxyanilino)azepane-1-carboxylate
CID 103980589
2,3,5,6-tetrafluoro-4-(3-methoxypyrrolidin-1-yl)pyridine
CID 103536626
1-(3-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]piperidin-2-one
CID 133372898

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine (CID 133372597) is N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine is COc1cccc(NC2CCN(c3c(F)c(F)nc(F)c3F)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine?
The InChIKey is OFLIVLCOTRTFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O/c1-25-12-4-2-3-11(9-12)22-10-5-7-24(8-6-10)15-13(18)16(20)23-17(21)14(15)19/h2-4,9-10,22H,5-8H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine?
N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine has a molecular weight of 355.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 133372597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).