2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine

C19H20ClF3N2O — CID 25263339

IUPAC2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1OC(c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C19H20ClF3N2O/c1-12-16(13-5-8-24-9-6-13)7-10-25-18(12)26-17(19(21,22)23)14-3-2-4-15(20)11-14/h2-4,7,10-11,13,17,24H,5-6,8-9H2,1H3
InChIKeyRWANHHYABZAOEH-UHFFFAOYSA-N
MW384.83 g/mol
LogP5.19
Rot. Bonds4

About 2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine

2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine (PubChem CID 25263339) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine
PubChem CID25263339
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC Name2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1OC(c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C19H20ClF3N2O/c1-12-16(13-5-8-24-9-6-13)7-10-25-18(12)26-17(19(21,22)23)14-3-2-4-15(20)11-14/h2-4,7,10-11,13,17,24H,5-6,8-9H2,1H3
InChIKeyRWANHHYABZAOEH-UHFFFAOYSA-N
XLogP5.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.83
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine?
The IUPAC name of 2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine (CID 25263339) is 2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine?
The canonical SMILES for 2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine is Cc1c(C2CCNCC2)ccnc1OC(c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine?
The InChIKey is RWANHHYABZAOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O/c1-12-16(13-5-8-24-9-6-13)7-10-25-18(12)26-17(19(21,22)23)14-3-2-4-15(20)11-14/h2-4,7,10-11,13,17,24H,5-6,8-9H2,1H3.
What are the key properties of 2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine?
2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine has a molecular weight of 384.83 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-piperidin-4-ylpyridine is sourced from PubChem (CID 25263339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).