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

C23H32N2O3 — CID 10134641

IUPAC1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine
SMILESCOc1ccc(N2CCN(C(C)Cc3ccc(OC)c(OC)c3)CC2)cc1C
InChIInChI=1S/C23H32N2O3/c1-17-14-20(7-9-21(17)26-3)25-12-10-24(11-13-25)18(2)15-19-6-8-22(27-4)23(16-19)28-5/h6-9,14,16,18H,10-13,15H2,1-5H3
InChIKeyKUXXNUMYVMSYFZ-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.77
Rot. Bonds7

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

1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine (PubChem CID 10134641) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine
PubChem CID10134641
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine
SMILESCOc1ccc(N2CCN(C(C)Cc3ccc(OC)c(OC)c3)CC2)cc1C
InChIInChI=1S/C23H32N2O3/c1-17-14-20(7-9-21(17)26-3)25-12-10-24(11-13-25)18(2)15-19-6-8-22(27-4)23(16-19)28-5/h6-9,14,16,18H,10-13,15H2,1-5H3
InChIKeyKUXXNUMYVMSYFZ-UHFFFAOYSA-N
XLogP3.77
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(2,3-dimethylphenyl)piperazine
CID 2846456
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-ethylpiperazine
CID 30982426
4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine
CID 30982621
1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
CID 59545760
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine
CID 103575485
ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate
CID 23960975
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol
CID 126696055
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
2-methoxy-4-[(2R)-2-thiomorpholin-4-ylpropyl]phenol
CID 40514865

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine (CID 10134641) is 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine is COc1ccc(N2CCN(C(C)Cc3ccc(OC)c(OC)c3)CC2)cc1C.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine?
The InChIKey is KUXXNUMYVMSYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-17-14-20(7-9-21(17)26-3)25-12-10-24(11-13-25)18(2)15-19-6-8-22(27-4)23(16-19)28-5/h6-9,14,16,18H,10-13,15H2,1-5H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine?
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine has a molecular weight of 384.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-(4-methoxy-3-methylphenyl)piperazine is sourced from PubChem (CID 10134641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).