1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride

C18H21ClF2N2O — CID 120753939

IUPAC1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C18H20F2N2O.ClH/c1-23-18-5-3-2-4-15(18)17-11-21-8-9-22(17)12-13-6-7-14(19)10-16(13)20;/h2-7,10,17,21H,8-9,11-12H2,1H3;1H
InChIKeyYJPONOXPXXOSFK-UHFFFAOYSA-N
MW354.83 g/mol
LogP3.54
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride

1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 120753939) has the molecular formula C18H21ClF2N2O and a molecular weight of 354.83 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID120753939
Molecular FormulaC18H21ClF2N2O
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C18H20F2N2O.ClH/c1-23-18-5-3-2-4-15(18)17-11-21-8-9-22(17)12-13-6-7-14(19)10-16(13)20;/h2-7,10,17,21H,8-9,11-12H2,1H3;1H
InChIKeyYJPONOXPXXOSFK-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767334
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
CID 120753959
2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine
CID 120767270
1-[(2-methoxy-5-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753678
3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120754170
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120846324
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394
1-[(2-chloro-4-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767488
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride (CID 120753939) is 1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride is COc1ccccc1C1CNCCN1Cc1ccc(F)cc1F.Cl.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is YJPONOXPXXOSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O.ClH/c1-23-18-5-3-2-4-15(18)17-11-21-8-9-22(17)12-13-6-7-14(19)10-16(13)20;/h2-7,10,17,21H,8-9,11-12H2,1H3;1H.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 354.83 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 120753939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).