4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile

C26H25F3N4O — CID 25176459

IUPAC4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(-c3ccc(C#N)cc3)n2)(c2cccnc2)CC1
InChIInChI=1S/C26H25F3N4O/c1-33-11-8-25(9-12-33,21-3-2-10-31-16-21)18-34-17-23-13-22(26(27,28)29)14-24(32-23)20-6-4-19(15-30)5-7-20/h2-7,10,13-14,16H,8-9,11-12,17-18H2,1H3
InChIKeyUPLBRILYXGYORG-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.21
Rot. Bonds6

About 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile

4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile (PubChem CID 25176459) has the molecular formula C26H25F3N4O and a molecular weight of 466.51 g/mol. Its IUPAC name is 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile
PubChem CID25176459
Molecular FormulaC26H25F3N4O
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(-c3ccc(C#N)cc3)n2)(c2cccnc2)CC1
InChIInChI=1S/C26H25F3N4O/c1-33-11-8-25(9-12-33,21-3-2-10-31-16-21)18-34-17-23-13-22(26(27,28)29)14-24(32-23)20-6-4-19(15-30)5-7-20/h2-7,10,13-14,16H,8-9,11-12,17-18H2,1H3
InChIKeyUPLBRILYXGYORG-UHFFFAOYSA-N
XLogP5.21
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile (CID 25176459) is 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile is CN1CCC(COCc2cc(C(F)(F)F)cc(-c3ccc(C#N)cc3)n2)(c2cccnc2)CC1.
What is the InChIKey of 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile?
The InChIKey is UPLBRILYXGYORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O/c1-33-11-8-25(9-12-33,21-3-2-10-31-16-21)18-34-17-23-13-22(26(27,28)29)14-24(32-23)20-6-4-19(15-30)5-7-20/h2-7,10,13-14,16H,8-9,11-12,17-18H2,1H3.
What are the key properties of 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile?
4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile has a molecular weight of 466.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1-methyl-4-pyridin-3-ylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 25176459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).