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

C19H20ClF3N2O — CID 24800927

IUPAC2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C19H20ClF3N2O/c20-17-11-15(19(21,22)23)10-16(25-17)12-26-13-18(6-8-24-9-7-18)14-4-2-1-3-5-14/h1-5,10-11,24H,6-9,12-13H2
InChIKeyYHYTXVOKAVQKLR-UHFFFAOYSA-N
MW384.83 g/mol
LogP4.59
Rot. Bonds5

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

2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 24800927) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is 2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID24800927
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC Name2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C19H20ClF3N2O/c20-17-11-15(19(21,22)23)10-16(25-17)12-26-13-18(6-8-24-9-7-18)14-4-2-1-3-5-14/h1-5,10-11,24H,6-9,12-13H2
InChIKeyYHYTXVOKAVQKLR-UHFFFAOYSA-N
XLogP4.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine (CID 24800927) is 2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(COCC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of 2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is YHYTXVOKAVQKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O/c20-17-11-15(19(21,22)23)10-16(25-17)12-26-13-18(6-8-24-9-7-18)14-4-2-1-3-5-14/h1-5,10-11,24H,6-9,12-13H2.
What are the key properties of 2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 384.83 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24800927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).