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

C27H38N2O2 — CID 143036748

IUPAC1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCc1ccc(CCOc2ccc(C(CN3CCNCC3)C3(O)CCCCC3)cc2)cc1
InChIInChI=1S/C27H38N2O2/c1-22-5-7-23(8-6-22)13-20-31-25-11-9-24(10-12-25)26(21-29-18-16-28-17-19-29)27(30)14-3-2-4-15-27/h5-12,26,28,30H,2-4,13-21H2,1H3
InChIKeyOTOVECZRZRZVJR-UHFFFAOYSA-N
MW422.61 g/mol
LogP4.30
Rot. Bonds8

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

1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 143036748) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID143036748
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCc1ccc(CCOc2ccc(C(CN3CCNCC3)C3(O)CCCCC3)cc2)cc1
InChIInChI=1S/C27H38N2O2/c1-22-5-7-23(8-6-22)13-20-31-25-11-9-24(10-12-25)26(21-29-18-16-28-17-19-29)27(30)14-3-2-4-15-27/h5-12,26,28,30H,2-4,13-21H2,1H3
InChIKeyOTOVECZRZRZVJR-UHFFFAOYSA-N
XLogP4.30
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 143036748) is 1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is Cc1ccc(CCOc2ccc(C(CN3CCNCC3)C3(O)CCCCC3)cc2)cc1.
What is the InChIKey of 1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is OTOVECZRZRZVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-22-5-7-23(8-6-22)13-20-31-25-11-9-24(10-12-25)26(21-29-18-16-28-17-19-29)27(30)14-3-2-4-15-27/h5-12,26,28,30H,2-4,13-21H2,1H3.
What are the key properties of 1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 422.61 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[2-(4-methylphenyl)ethoxy]phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 143036748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).