1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine

C19H23ClN2O2 — CID 3758150

IUPAC1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(C(c2ccc(Cl)cc2)N2CCNCC2)c1
InChIInChI=1S/C19H23ClN2O2/c1-23-16-7-8-18(24-2)17(13-16)19(22-11-9-21-10-12-22)14-3-5-15(20)6-4-14/h3-8,13,19,21H,9-12H2,1-2H3
InChIKeyHJGWDJFBMIMOFM-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.35
Rot. Bonds5

About 1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine

1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine (PubChem CID 3758150) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
PubChem CID3758150
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(C(c2ccc(Cl)cc2)N2CCNCC2)c1
InChIInChI=1S/C19H23ClN2O2/c1-23-16-7-8-18(24-2)17(13-16)19(22-11-9-21-10-12-22)14-3-5-15(20)6-4-14/h3-8,13,19,21H,9-12H2,1-2H3
InChIKeyHJGWDJFBMIMOFM-UHFFFAOYSA-N
XLogP3.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 5234749
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine
CID 4738663
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[(3,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3260597
1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 4264818
1-[(5-chloro-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3374485
1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine
CID 3719125
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847
1-[(4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 3914218
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine (CID 3758150) is 1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine is COc1ccc(OC)c(C(c2ccc(Cl)cc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine?
The InChIKey is HJGWDJFBMIMOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-23-16-7-8-18(24-2)17(13-16)19(22-11-9-21-10-12-22)14-3-5-15(20)6-4-14/h3-8,13,19,21H,9-12H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine?
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine has a molecular weight of 346.86 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3758150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).