(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol

C19H18F6N2O — CID 101053418

IUPAC(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
SMILESO[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)C1CCCCN1
InChIInChI=1S/C19H18F6N2O/c20-18(21,22)13-6-4-11(5-7-13)15-9-12(10-16(27-15)19(23,24)25)17(28)14-3-1-2-8-26-14/h4-7,9-10,14,17,26,28H,1-3,8H2/t14?,17-/m0/s1
InChIKeyOCVRKDMRZFCUEE-JRZJBTRGSA-N
MW404.35 g/mol
LogP4.96
Rot. Bonds3

About (S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol

(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol (PubChem CID 101053418) has the molecular formula C19H18F6N2O and a molecular weight of 404.35 g/mol. Its IUPAC name is (S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
PubChem CID101053418
Molecular FormulaC19H18F6N2O
Molecular Weight404.35 g/mol
Exact Mass404.13
IUPAC Name(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
SMILESO[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)C1CCCCN1
InChIInChI=1S/C19H18F6N2O/c20-18(21,22)13-6-4-11(5-7-13)15-9-12(10-16(27-15)19(23,24)25)17(28)14-3-1-2-8-26-14/h4-7,9-10,14,17,26,28H,1-3,8H2/t14?,17-/m0/s1
InChIKeyOCVRKDMRZFCUEE-JRZJBTRGSA-N
XLogP4.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The IUPAC name of (S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol (CID 101053418) is (S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for (S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The canonical SMILES for (S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol is O[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)C1CCCCN1.
What is the InChIKey of (S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The InChIKey is OCVRKDMRZFCUEE-JRZJBTRGSA-N. The full InChI is InChI=1S/C19H18F6N2O/c20-18(21,22)13-6-4-11(5-7-13)15-9-12(10-16(27-15)19(23,24)25)17(28)14-3-1-2-8-26-14/h4-7,9-10,14,17,26,28H,1-3,8H2/t14?,17-/m0/s1.
What are the key properties of (S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
(S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol has a molecular weight of 404.35 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 101053418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).