4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde

C26H33NO2 — CID 54189358

IUPAC4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(OCCC3CCN(C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H33NO2/c28-20-22-6-8-23(9-7-22)24-10-12-26(13-11-24)29-19-16-21-14-17-27(18-15-21)25-4-2-1-3-5-25/h6-13,20-21,25H,1-5,14-19H2
InChIKeyAICJUXXBGYCSTN-UHFFFAOYSA-N
MW391.56 g/mol
LogP5.98
Rot. Bonds7

About 4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde

4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde (PubChem CID 54189358) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde
PubChem CID54189358
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(OCCC3CCN(C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H33NO2/c28-20-22-6-8-23(9-7-22)24-10-12-26(13-11-24)29-19-16-21-14-17-27(18-15-21)25-4-2-1-3-5-25/h6-13,20-21,25H,1-5,14-19H2
InChIKeyAICJUXXBGYCSTN-UHFFFAOYSA-N
XLogP5.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
CID 131887316
4-(2-cyclohexyloxyethoxy)benzaldehyde
CID 87224596
4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde
CID 6504237
6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one
CID 59651975
cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde
CID 23291684
4-[3-(1-pyridazin-3-ylpiperidin-4-yl)propoxy]benzaldehyde
CID 152770235
3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde
CID 106202440
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzaldehyde
CID 173055529
3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole
CID 22068269
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzaldehyde
CID 172730265
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde?
The IUPAC name of 4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde (CID 54189358) is 4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde?
The canonical SMILES for 4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(OCCC3CCN(C4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde?
The InChIKey is AICJUXXBGYCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2/c28-20-22-6-8-23(9-7-22)24-10-12-26(13-11-24)29-19-16-21-14-17-27(18-15-21)25-4-2-1-3-5-25/h6-13,20-21,25H,1-5,14-19H2.
What are the key properties of 4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde?
4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde has a molecular weight of 391.56 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]phenyl]benzaldehyde is sourced from PubChem (CID 54189358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).