2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine

C23H22ClFN2 — CID 57181978

IUPAC2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
SMILESFc1ccc(C2CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C23H22ClFN2/c24-21-5-1-20(2-6-21)23-15-17(9-12-26-23)16-27-13-10-19(11-14-27)18-3-7-22(25)8-4-18/h1-9,12,15,19H,10-11,13-14,16H2
InChIKeyKUBWIUOJADOMBC-UHFFFAOYSA-N
MW380.89 g/mol
LogP5.92
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine

2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine (PubChem CID 57181978) has the molecular formula C23H22ClFN2 and a molecular weight of 380.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
PubChem CID57181978
Molecular FormulaC23H22ClFN2
Molecular Weight380.89 g/mol
Exact Mass380.15
IUPAC Name2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
SMILESFc1ccc(C2CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C23H22ClFN2/c24-21-5-1-20(2-6-21)23-15-17(9-12-26-23)16-27-13-10-19(11-14-27)18-3-7-22(25)8-4-18/h1-9,12,15,19H,10-11,13-14,16H2
InChIKeyKUBWIUOJADOMBC-UHFFFAOYSA-N
XLogP5.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.89
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine (CID 57181978) is 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine is Fc1ccc(C2CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is KUBWIUOJADOMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2/c24-21-5-1-20(2-6-21)23-15-17(9-12-26-23)16-27-13-10-19(11-14-27)18-3-7-22(25)8-4-18/h1-9,12,15,19H,10-11,13-14,16H2.
What are the key properties of 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 380.89 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 57181978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).