(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone

C19H20ClFN2O — CID 21275348

IUPAC(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O/c20-17-5-3-16(4-6-17)19(24)23-13-11-22(12-14-23)10-9-15-1-7-18(21)8-2-15/h1-8H,9-14H2
InChIKeyGWKFJCLHSBNKRR-UHFFFAOYSA-N
MW346.83 g/mol
LogP3.48
Rot. Bonds4

About (4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 21275348) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID21275348
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O/c20-17-5-3-16(4-6-17)19(24)23-13-11-22(12-14-23)10-9-15-1-7-18(21)8-2-15/h1-8H,9-14H2
InChIKeyGWKFJCLHSBNKRR-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminophenyl)-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 18946357
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
CID 21275301
N-[2-(4-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109096
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
CID 21275355
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 42709840
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 67912324
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide
CID 19099498
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
amino N-[1-(4-chlorophenyl)ethenyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidothioate
CID 89369835
[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 112814782

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone (CID 21275348) is (4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is GWKFJCLHSBNKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-17-5-3-16(4-6-17)19(24)23-13-11-22(12-14-23)10-9-15-1-7-18(21)8-2-15/h1-8H,9-14H2.
What are the key properties of (4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 346.83 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 21275348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).