1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

C26H36N2O2 — CID 143037695

IUPAC1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCc1ccc(COc2ccc(C(CN3CCNCC3)C3(O)CCCCC3)cc2)cc1
InChIInChI=1S/C26H36N2O2/c1-21-5-7-22(8-6-21)20-30-24-11-9-23(10-12-24)25(19-28-17-15-27-16-18-28)26(29)13-3-2-4-14-26/h5-12,25,27,29H,2-4,13-20H2,1H3
InChIKeyQWTWUNFIZLUTOF-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.26
Rot. Bonds7

About 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 143037695) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID143037695
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCc1ccc(COc2ccc(C(CN3CCNCC3)C3(O)CCCCC3)cc2)cc1
InChIInChI=1S/C26H36N2O2/c1-21-5-7-22(8-6-21)20-30-24-11-9-23(10-12-24)25(19-28-17-15-27-16-18-28)26(29)13-3-2-4-14-26/h5-12,25,27,29H,2-4,13-20H2,1H3
InChIKeyQWTWUNFIZLUTOF-UHFFFAOYSA-N
XLogP4.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Desmethylvenlafaxine
CID 3501942
1-(6-{[4-(1,1-Dimethylethyl)phenyl]oxy}hexyl)piperazine
CID 410637
4-(Spiro[chromene-2,4''-piperidine]-4-yl)phenol
CID 25129433
1-[3-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949667
1-[3-[4-[4-[(E)-3-piperidin-1-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine
CID 15941903
1-[3-[4-[4-[(Z)-3-piperidin-1-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine
CID 15941904
N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 56658589
1-[3-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]phenyl]propyl]piperidine
CID 57672043
((4-((4-Methylphenyl)methoxy)phenyl)methyl)((piperidin-4-yl)methyl)amine
CID 16004280
1-[3-(4-Biphenylyloxy)propyl]-4-ethylpiperazine
CID 2961632
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperazine
CID 56658588
N-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 56668953

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 143037695) is 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is Cc1ccc(COc2ccc(C(CN3CCNCC3)C3(O)CCCCC3)cc2)cc1.
What is the InChIKey of 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is QWTWUNFIZLUTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-21-5-7-22(8-6-21)20-30-24-11-9-23(10-12-24)25(19-28-17-15-27-16-18-28)26(29)13-3-2-4-14-26/h5-12,25,27,29H,2-4,13-20H2,1H3.
What are the key properties of 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 408.59 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 143037695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).