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

C19H20ClF3N2O — CID 71541372

IUPAC4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)cc(COCC2(c3ccccc3)CCNCC2)n1
InChIInChI=1S/C19H20ClF3N2O/c20-15-10-16(25-17(11-15)19(21,22)23)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
InChIKeyZSOOJAUDBXFRSU-UHFFFAOYSA-N
MW384.83 g/mol
LogP4.59
Rot. Bonds5

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

4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine (PubChem CID 71541372) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is 4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine
PubChem CID71541372
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC Name4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)cc(COCC2(c3ccccc3)CCNCC2)n1
InChIInChI=1S/C19H20ClF3N2O/c20-15-10-16(25-17(11-15)19(21,22)23)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
InChIKeyZSOOJAUDBXFRSU-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

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Related Compounds

N-ethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 24799365
2-Cyclopropyl-6-(((4-(4-fluorophenyl)-1-methylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine
CID 24800231
2-Cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24800398
2-[(4-Phenylpiperidin-4-yl)methoxymethyl]-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine
CID 24800578
6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
CID 24800743
2-Chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24800927
2-Chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24801101
2,6-Dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine
CID 24801102
2-Chloro-6-(((4-(4-fluorophenyl)-1-methylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine
CID 24801457
6-[(1-Methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 24801459
2-Chloro-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24801626
4-Chloro-2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine
CID 24801627

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine (CID 71541372) is 4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)cc(COCC2(c3ccccc3)CCNCC2)n1.
What is the InChIKey of 4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine?
The InChIKey is ZSOOJAUDBXFRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O/c20-15-10-16(25-17(11-15)19(21,22)23)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 4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine?
4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(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 4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 71541372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).