2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine

C22H25F3N2O — CID 25176462

IUPAC2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(C2CC2)c1
InChIInChI=1S/C22H25F3N2O/c23-22(24,25)18-12-19(27-20(13-18)16-6-7-16)14-28-15-21(8-10-26-11-9-21)17-4-2-1-3-5-17/h1-5,12-13,16,26H,6-11,14-15H2
InChIKeyBRFMQRSCKIRUOE-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.82
Rot. Bonds6

About 2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine

2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 25176462) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID25176462
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(C2CC2)c1
InChIInChI=1S/C22H25F3N2O/c23-22(24,25)18-12-19(27-20(13-18)16-6-7-16)14-28-15-21(8-10-26-11-9-21)17-4-2-1-3-5-17/h1-5,12-13,16,26H,6-11,14-15H2
InChIKeyBRFMQRSCKIRUOE-UHFFFAOYSA-N
XLogP4.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine (CID 25176462) is 2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is BRFMQRSCKIRUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c23-22(24,25)18-12-19(27-20(13-18)16-6-7-16)14-28-15-21(8-10-26-11-9-21)17-4-2-1-3-5-17/h1-5,12-13,16,26H,6-11,14-15H2.
What are the key properties of 2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 390.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 25176462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).