5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one

C22H25ClFNO — CID 57153662

IUPAC5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one
SMILESO=C(CCCCc1ccc(Cl)cc1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25ClFNO/c23-20-9-5-17(6-10-20)3-1-2-4-22(26)25-15-13-19(14-16-25)18-7-11-21(24)12-8-18/h5-12,19H,1-4,13-16H2
InChIKeyZJERRNFHYPLIAK-UHFFFAOYSA-N
MW373.90 g/mol
LogP5.60
Rot. Bonds6

About 5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one

5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one (PubChem CID 57153662) has the molecular formula C22H25ClFNO and a molecular weight of 373.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one
PubChem CID57153662
Molecular FormulaC22H25ClFNO
Molecular Weight373.90 g/mol
Exact Mass373.16
IUPAC Name5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one
SMILESO=C(CCCCc1ccc(Cl)cc1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25ClFNO/c23-20-9-5-17(6-10-20)3-1-2-4-22(26)25-15-13-19(14-16-25)18-7-11-21(24)12-8-18/h5-12,19H,1-4,13-16H2
InChIKeyZJERRNFHYPLIAK-UHFFFAOYSA-N
XLogP5.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.90
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Amiperone
CID 71101
Cloroperone Hydrochloride
CID 41535
Cloroperone
CID 41536
Spiro-carboxamide scaffold, 9
CID 44143295
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-tetrahydropyridine
CID 11382826
[1-(4-Chlorophenyl)cyclopropyl]-(4-phenylpiperidin-1-yl)methanone
CID 11588129
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpyrrolidin-1-yl)methanone
CID 11659861
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone
CID 11695794
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylpropanamide
CID 24758171
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide
CID 24758296
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(3-fluorophenyl)acetamide
CID 24758517

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one (CID 57153662) is 5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one is O=C(CCCCc1ccc(Cl)cc1)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one?
The InChIKey is ZJERRNFHYPLIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFNO/c23-20-9-5-17(6-10-20)3-1-2-4-22(26)25-15-13-19(14-16-25)18-7-11-21(24)12-8-18/h5-12,19H,1-4,13-16H2.
What are the key properties of 5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one?
5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one has a molecular weight of 373.90 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 57153662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).