N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine

C24H25F2N3O — CID 22558041

IUPACN-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccc(N(Cc2ccnc(-c3cc(F)cc(F)c3)c2)C2CCNCC2)cc1
InChIInChI=1S/C24H25F2N3O/c1-30-23-4-2-21(3-5-23)29(22-7-9-27-10-8-22)16-17-6-11-28-24(12-17)18-13-19(25)15-20(26)14-18/h2-6,11-15,22,27H,7-10,16H2,1H3
InChIKeyYBRJXLWOQMYYAA-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.79
Rot. Bonds6

About N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine

N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine (PubChem CID 22558041) has the molecular formula C24H25F2N3O and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
PubChem CID22558041
Molecular FormulaC24H25F2N3O
Molecular Weight409.48 g/mol
Exact Mass409.20
IUPAC NameN-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccc(N(Cc2ccnc(-c3cc(F)cc(F)c3)c2)C2CCNCC2)cc1
InChIInChI=1S/C24H25F2N3O/c1-30-23-4-2-21(3-5-23)29(22-7-9-27-10-8-22)16-17-6-11-28-24(12-17)18-13-19(25)15-20(26)14-18/h2-6,11-15,22,27H,7-10,16H2,1H3
InChIKeyYBRJXLWOQMYYAA-UHFFFAOYSA-N
XLogP4.79
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The IUPAC name of N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine (CID 22558041) is N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine is COc1ccc(N(Cc2ccnc(-c3cc(F)cc(F)c3)c2)C2CCNCC2)cc1.
What is the InChIKey of N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The InChIKey is YBRJXLWOQMYYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O/c1-30-23-4-2-21(3-5-23)29(22-7-9-27-10-8-22)16-17-6-11-28-24(12-17)18-13-19(25)15-20(26)14-18/h2-6,11-15,22,27H,7-10,16H2,1H3.
What are the key properties of N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine has a molecular weight of 409.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 22558041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).