(2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol

C20H20F6N2O2 — CID 177304115

IUPAC(2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(c2ccc(C(F)(F)F)cc2)C[C@@H](COc2cncc(C(F)(F)F)c2)N1
InChIInChI=1S/C20H20F6N2O2/c1-12-7-18(29,13-2-4-14(5-3-13)19(21,22)23)8-16(28-12)11-30-17-6-15(9-27-10-17)20(24,25)26/h2-6,9-10,12,16,28-29H,7-8,11H2,1H3/t12-,16-,18-/m0/s1
InChIKeyHAIJGPGBFFXWOK-IWEFOYFVSA-N
MW434.38 g/mol
LogP4.53
Rot. Bonds4

About (2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol

(2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol (PubChem CID 177304115) has the molecular formula C20H20F6N2O2 and a molecular weight of 434.38 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol
PubChem CID177304115
Molecular FormulaC20H20F6N2O2
Molecular Weight434.38 g/mol
Exact Mass434.14
IUPAC Name(2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(c2ccc(C(F)(F)F)cc2)C[C@@H](COc2cncc(C(F)(F)F)c2)N1
InChIInChI=1S/C20H20F6N2O2/c1-12-7-18(29,13-2-4-14(5-3-13)19(21,22)23)8-16(28-12)11-30-17-6-15(9-27-10-17)20(24,25)26/h2-6,9-10,12,16,28-29H,7-8,11H2,1H3/t12-,16-,18-/m0/s1
InChIKeyHAIJGPGBFFXWOK-IWEFOYFVSA-N
XLogP4.53
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol?
The IUPAC name of (2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol (CID 177304115) is (2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol.
What is the SMILES notation for (2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol?
The canonical SMILES for (2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol is C[C@H]1C[C@@](O)(c2ccc(C(F)(F)F)cc2)C[C@@H](COc2cncc(C(F)(F)F)c2)N1.
What is the InChIKey of (2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol?
The InChIKey is HAIJGPGBFFXWOK-IWEFOYFVSA-N. The full InChI is InChI=1S/C20H20F6N2O2/c1-12-7-18(29,13-2-4-14(5-3-13)19(21,22)23)8-16(28-12)11-30-17-6-15(9-27-10-17)20(24,25)26/h2-6,9-10,12,16,28-29H,7-8,11H2,1H3/t12-,16-,18-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol?
(2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol has a molecular weight of 434.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol is sourced from PubChem (CID 177304115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).