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

C19H21Cl2FN2O — CID 21275355

IUPAC[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccccc1F)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClFN2O.ClH/c20-16-7-5-15(6-8-16)9-10-22-11-13-23(14-12-22)19(24)17-3-1-2-4-18(17)21;/h1-8H,9-14H2;1H
InChIKeyHGIDSLFQVYOLTC-UHFFFAOYSA-N
MW383.29 g/mol
LogP3.90
Rot. Bonds4

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

[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride (PubChem CID 21275355) has the molecular formula C19H21Cl2FN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
PubChem CID21275355
Molecular FormulaC19H21Cl2FN2O
Molecular Weight383.29 g/mol
Exact Mass382.10
IUPAC Name[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccccc1F)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClFN2O.ClH/c20-16-7-5-15(6-8-16)9-10-22-11-13-23(14-12-22)19(24)17-3-1-2-4-18(17)21;/h1-8H,9-14H2;1H
InChIKeyHGIDSLFQVYOLTC-UHFFFAOYSA-N
XLogP3.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
CID 21275301
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 113072774
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108556555
(4-aminophenyl)-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 18946357
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 648267
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
[4-[2-(4-chloropyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 137344996
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride (CID 21275355) is [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride is Cl.O=C(c1ccccc1F)N1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride?
The InChIKey is HGIDSLFQVYOLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O.ClH/c20-16-7-5-15(6-8-16)9-10-22-11-13-23(14-12-22)19(24)17-3-1-2-4-18(17)21;/h1-8H,9-14H2;1H.
What are the key properties of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride?
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride has a molecular weight of 383.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 21275355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).