[4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol

C32H32F3N3O — CID 71050580

IUPAC[4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccccc1C1(CO)CCN(Cc2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C32H32F3N3O/c1-37(26-15-13-25(14-16-26)24-8-3-2-4-9-24)30-12-6-5-10-28(30)31(23-39)17-20-38(21-18-31)22-29-27(32(33,34)35)11-7-19-36-29/h2-16,19,39H,17-18,20-23H2,1H3
InChIKeyGIWXYUYCQLIDDA-UHFFFAOYSA-N
MW531.62 g/mol
LogP7.06
Rot. Bonds7

About [4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol

[4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol (PubChem CID 71050580) has the molecular formula C32H32F3N3O and a molecular weight of 531.62 g/mol. Its IUPAC name is [4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol
PubChem CID71050580
Molecular FormulaC32H32F3N3O
Molecular Weight531.62 g/mol
Exact Mass531.25
IUPAC Name[4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccccc1C1(CO)CCN(Cc2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C32H32F3N3O/c1-37(26-15-13-25(14-16-26)24-8-3-2-4-9-24)30-12-6-5-10-28(30)31(23-39)17-20-38(21-18-31)22-29-27(32(33,34)35)11-7-19-36-29/h2-16,19,39H,17-18,20-23H2,1H3
InChIKeyGIWXYUYCQLIDDA-UHFFFAOYSA-N
XLogP7.06
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol (CID 71050580) is [4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol is CN(c1ccc(-c2ccccc2)cc1)c1ccccc1C1(CO)CCN(Cc2ncccc2C(F)(F)F)CC1.
What is the InChIKey of [4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol?
The InChIKey is GIWXYUYCQLIDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N3O/c1-37(26-15-13-25(14-16-26)24-8-3-2-4-9-24)30-12-6-5-10-28(30)31(23-39)17-20-38(21-18-31)22-29-27(32(33,34)35)11-7-19-36-29/h2-16,19,39H,17-18,20-23H2,1H3.
What are the key properties of [4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol?
[4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol has a molecular weight of 531.62 g/mol, XLogP of 7.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(N-methyl-4-phenylanilino)phenyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 71050580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).