1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine

C23H32N2O2 — CID 2846456

IUPAC1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine
SMILESCOc1ccc(CC(C)N2CCN(c3cccc(C)c3C)CC2)cc1OC
InChIInChI=1S/C23H32N2O2/c1-17-7-6-8-21(19(17)3)25-13-11-24(12-14-25)18(2)15-20-9-10-22(26-4)23(16-20)27-5/h6-10,16,18H,11-15H2,1-5H3
InChIKeyWLYVKYNIPIOPDY-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.07
Rot. Bonds6

About 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine

1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 2846456) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID2846456
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine
SMILESCOc1ccc(CC(C)N2CCN(c3cccc(C)c3C)CC2)cc1OC
InChIInChI=1S/C23H32N2O2/c1-17-7-6-8-21(19(17)3)25-13-11-24(12-14-25)18(2)15-20-9-10-22(26-4)23(16-20)27-5/h6-10,16,18H,11-15H2,1-5H3
InChIKeyWLYVKYNIPIOPDY-UHFFFAOYSA-N
XLogP4.07
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine
CID 10134641
2-[(3,4-dimethoxyphenyl)methylamino]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109003043
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 9155543
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-ethylpiperazine
CID 30982426
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469
4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine
CID 30982621
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891424
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
CID 40514838
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]guanidine
CID 111805960
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
CID 8582727
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 94027306
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine (CID 2846456) is 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine is COc1ccc(CC(C)N2CCN(c3cccc(C)c3C)CC2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is WLYVKYNIPIOPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-17-7-6-8-21(19(17)3)25-13-11-24(12-14-25)18(2)15-20-9-10-22(26-4)23(16-20)27-5/h6-10,16,18H,11-15H2,1-5H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine?
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 368.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 2846456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).