(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

C19H22ClFN2O — CID 120737461

IUPAC(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1C.Cl
InChIInChI=1S/C19H21FN2O.ClH/c1-13-6-7-16(10-14(13)2)19(23)22-9-8-21-12-18(22)15-4-3-5-17(20)11-15;/h3-7,10-11,18,21H,8-9,12H2,1-2H3;1H
InChIKeyXDXIPLBSDDMFJJ-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.65
Rot. Bonds2

About (3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120737461) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120737461
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1C.Cl
InChIInChI=1S/C19H21FN2O.ClH/c1-13-6-7-16(10-14(13)2)19(23)22-9-8-21-12-18(22)15-4-3-5-17(20)11-15;/h3-7,10-11,18,21H,8-9,12H2,1-2H3;1H
InChIKeyXDXIPLBSDDMFJJ-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 120737093
N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 120737706
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737625
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (CID 120737461) is (3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is Cc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1C.Cl.
What is the InChIKey of (3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is XDXIPLBSDDMFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O.ClH/c1-13-6-7-16(10-14(13)2)19(23)22-9-8-21-12-18(22)15-4-3-5-17(20)11-15;/h3-7,10-11,18,21H,8-9,12H2,1-2H3;1H.
What are the key properties of (3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 348.85 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120737461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).