(4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone

C19H17ClFNO2 — CID 1437838

IUPAC(4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17ClFNO2/c20-16-5-1-13(2-6-16)18(23)14-9-11-22(12-10-14)19(24)15-3-7-17(21)8-4-15/h1-8,14H,9-12H2
InChIKeyKVXXRVKZSKFWAL-UHFFFAOYSA-N
MW345.80 g/mol
LogP4.21
Rot. Bonds3

About (4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone (PubChem CID 1437838) has the molecular formula C19H17ClFNO2 and a molecular weight of 345.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
PubChem CID1437838
Molecular FormulaC19H17ClFNO2
Molecular Weight345.80 g/mol
Exact Mass345.09
IUPAC Name(4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17ClFNO2/c20-16-5-1-13(2-6-16)18(23)14-9-11-22(12-10-14)19(24)15-3-7-17(21)8-4-15/h1-8,14H,9-12H2
InChIKeyKVXXRVKZSKFWAL-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone (CID 1437838) is (4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone?
The InChIKey is KVXXRVKZSKFWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO2/c20-16-5-1-13(2-6-16)18(23)14-9-11-22(12-10-14)19(24)15-3-7-17(21)8-4-15/h1-8,14H,9-12H2.
What are the key properties of (4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone has a molecular weight of 345.80 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 1437838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).