[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

C19H18ClF3N2O3 — CID 67169680

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
SMILESO=C(c1cncc(OCC(F)(F)F)c1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClF3N2O3/c20-14-1-3-15(4-2-14)28-16-5-7-25(8-6-16)18(26)13-9-17(11-24-10-13)27-12-19(21,22)23/h1-4,9-11,16H,5-8,12H2
InChIKeyVZNGEGNHRYILFI-UHFFFAOYSA-N
MW414.81 g/mol
LogP4.36
Rot. Bonds5

About [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (PubChem CID 67169680) has the molecular formula C19H18ClF3N2O3 and a molecular weight of 414.81 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
PubChem CID67169680
Molecular FormulaC19H18ClF3N2O3
Molecular Weight414.81 g/mol
Exact Mass414.10
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
SMILESO=C(c1cncc(OCC(F)(F)F)c1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClF3N2O3/c20-14-1-3-15(4-2-14)28-16-5-7-25(8-6-16)18(26)13-9-17(11-24-10-13)27-12-19(21,22)23/h1-4,9-11,16H,5-8,12H2
InChIKeyVZNGEGNHRYILFI-UHFFFAOYSA-N
XLogP4.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.81
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (CID 67169680) is [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is O=C(c1cncc(OCC(F)(F)F)c1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The InChIKey is VZNGEGNHRYILFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3/c20-14-1-3-15(4-2-14)28-16-5-7-25(8-6-16)18(26)13-9-17(11-24-10-13)27-12-19(21,22)23/h1-4,9-11,16H,5-8,12H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone has a molecular weight of 414.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 67169680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).