1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol

C28H40N2O3 — CID 67825142

IUPAC1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CCN2CCN(c3ccccc3OC)CC2C)C2(O)CCCCC2)cc1
InChIInChI=1S/C28H40N2O3/c1-22-21-30(26-9-5-6-10-27(26)33-3)20-19-29(22)18-15-25(28(31)16-7-4-8-17-28)23-11-13-24(32-2)14-12-23/h5-6,9-14,22,25,31H,4,7-8,15-21H2,1-3H3
InChIKeyWYJOQCMIVCHGDJ-UHFFFAOYSA-N
MW452.64 g/mol
LogP5.08
Rot. Bonds8

About 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol

1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol (PubChem CID 67825142) has the molecular formula C28H40N2O3 and a molecular weight of 452.64 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol
PubChem CID67825142
Molecular FormulaC28H40N2O3
Molecular Weight452.64 g/mol
Exact Mass452.30
IUPAC Name1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CCN2CCN(c3ccccc3OC)CC2C)C2(O)CCCCC2)cc1
InChIInChI=1S/C28H40N2O3/c1-22-21-30(26-9-5-6-10-27(26)33-3)20-19-29(22)18-15-25(28(31)16-7-4-8-17-28)23-11-13-24(32-2)14-12-23/h5-6,9-14,22,25,31H,4,7-8,15-21H2,1-3H3
InChIKeyWYJOQCMIVCHGDJ-UHFFFAOYSA-N
XLogP5.08
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl]cyclohexan-1-ol
CID 151295162
1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol
CID 21241495
1-[4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 21241505
1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol
CID 21241517
[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
CID 162517103
2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
CID 95721987
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56897135
1-[1-(4-methoxyphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
CID 59838669
[(2S)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-bis(trideuteriomethyl)azanium
CID 59807272
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 95715521
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol (CID 67825142) is 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol is COc1ccc(C(CCN2CCN(c3ccccc3OC)CC2C)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol?
The InChIKey is WYJOQCMIVCHGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O3/c1-22-21-30(26-9-5-6-10-27(26)33-3)20-19-29(22)18-15-25(28(31)16-7-4-8-17-28)23-11-13-24(32-2)14-12-23/h5-6,9-14,22,25,31H,4,7-8,15-21H2,1-3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol?
1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol has a molecular weight of 452.64 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]propyl]cyclohexan-1-ol is sourced from PubChem (CID 67825142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).