2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

C31H35F3N2O — CID 71272824

IUPAC2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(C3CCCCC3)nc2)c1
InChIInChI=1S/C31H35F3N2O/c32-31(33,34)28-18-23(21-37-22-30(13-15-35-16-14-30)27-9-5-2-6-10-27)17-26(19-28)25-11-12-29(36-20-25)24-7-3-1-4-8-24/h2,5-6,9-12,17-20,24,35H,1,3-4,7-8,13-16,21-22H2
InChIKeyJVQAMJJGXYJCJL-UHFFFAOYSA-N
MW508.63 g/mol
LogP7.65
Rot. Bonds7

About 2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 71272824) has the molecular formula C31H35F3N2O and a molecular weight of 508.63 g/mol. Its IUPAC name is 2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
PubChem CID71272824
Molecular FormulaC31H35F3N2O
Molecular Weight508.63 g/mol
Exact Mass508.27
IUPAC Name2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(C3CCCCC3)nc2)c1
InChIInChI=1S/C31H35F3N2O/c32-31(33,34)28-18-23(21-37-22-30(13-15-35-16-14-30)27-9-5-2-6-10-27)17-26(19-28)25-11-12-29(36-20-25)24-7-3-1-4-8-24/h2,5-6,9-12,17-20,24,35H,1,3-4,7-8,13-16,21-22H2
InChIKeyJVQAMJJGXYJCJL-UHFFFAOYSA-N
XLogP7.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (CID 71272824) is 2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(C3CCCCC3)nc2)c1.
What is the InChIKey of 2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is JVQAMJJGXYJCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F3N2O/c32-31(33,34)28-18-23(21-37-22-30(13-15-35-16-14-30)27-9-5-2-6-10-27)17-26(19-28)25-11-12-29(36-20-25)24-7-3-1-4-8-24/h2,5-6,9-12,17-20,24,35H,1,3-4,7-8,13-16,21-22H2.
What are the key properties of 2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 508.63 g/mol, XLogP of 7.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 71272824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).