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

C17H15ClF2N2O2 — CID 67168134

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
SMILESO=C(c1ncc(F)cc1F)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H15ClF2N2O2/c18-11-1-3-13(4-2-11)24-14-5-7-22(8-6-14)17(23)16-15(20)9-12(19)10-21-16/h1-4,9-10,14H,5-8H2
InChIKeyIQIZTKCSFBNKIZ-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.70
Rot. Bonds3

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

[4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone (PubChem CID 67168134) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
PubChem CID67168134
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
SMILESO=C(c1ncc(F)cc1F)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H15ClF2N2O2/c18-11-1-3-13(4-2-11)24-14-5-7-22(8-6-14)17(23)16-15(20)9-12(19)10-21-16/h1-4,9-10,14H,5-8H2
InChIKeyIQIZTKCSFBNKIZ-UHFFFAOYSA-N
XLogP3.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone (CID 67168134) is [4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone is O=C(c1ncc(F)cc1F)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone?
The InChIKey is IQIZTKCSFBNKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c18-11-1-3-13(4-2-11)24-14-5-7-22(8-6-14)17(23)16-15(20)9-12(19)10-21-16/h1-4,9-10,14H,5-8H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone has a molecular weight of 352.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone is sourced from PubChem (CID 67168134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).