(1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol

C27H25F6NO — CID 19363751

IUPAC(1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H25F6NO/c28-26(29,30)23-10-6-20(7-11-23)25(35,21-8-12-24(13-9-21)27(31,32)33)22-14-16-34(17-15-22)18-19-4-2-1-3-5-19/h1-13,22,35H,14-18H2
InChIKeyMNZZWSQSEKHHCV-UHFFFAOYSA-N
MW493.49 g/mol
LogP6.87
Rot. Bonds5

About (1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol

(1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol (PubChem CID 19363751) has the molecular formula C27H25F6NO and a molecular weight of 493.49 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol
PubChem CID19363751
Molecular FormulaC27H25F6NO
Molecular Weight493.49 g/mol
Exact Mass493.18
IUPAC Name(1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H25F6NO/c28-26(29,30)23-10-6-20(7-11-23)25(35,21-8-12-24(13-9-21)27(31,32)33)22-14-16-34(17-15-22)18-19-4-2-1-3-5-19/h1-13,22,35H,14-18H2
InChIKeyMNZZWSQSEKHHCV-UHFFFAOYSA-N
XLogP6.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol (CID 19363751) is (1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is MNZZWSQSEKHHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6NO/c28-26(29,30)23-10-6-20(7-11-23)25(35,21-8-12-24(13-9-21)27(31,32)33)22-14-16-34(17-15-22)18-19-4-2-1-3-5-19/h1-13,22,35H,14-18H2.
What are the key properties of (1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol?
(1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 493.49 g/mol, XLogP of 6.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)-bis[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 19363751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).