2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol

C22H36N2O — CID 59714995

IUPAC2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol
SMILESCc1ccc(NC2CCN(CCC3(CCO)CCCCC3)CC2)cc1
InChIInChI=1S/C22H36N2O/c1-19-5-7-20(8-6-19)23-21-9-15-24(16-10-21)17-13-22(14-18-25)11-3-2-4-12-22/h5-8,21,23,25H,2-4,9-18H2,1H3
InChIKeyQTWCVWLBHDOSEU-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.59
Rot. Bonds7

About 2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol

2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol (PubChem CID 59714995) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol
PubChem CID59714995
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC Name2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol
SMILESCc1ccc(NC2CCN(CCC3(CCO)CCCCC3)CC2)cc1
InChIInChI=1S/C22H36N2O/c1-19-5-7-20(8-6-19)23-21-9-15-24(16-10-21)17-13-22(14-18-25)11-3-2-4-12-22/h5-8,21,23,25H,2-4,9-18H2,1H3
InChIKeyQTWCVWLBHDOSEU-UHFFFAOYSA-N
XLogP4.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]oxan-4-yl]ethanol
CID 59715001
4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid
CID 69148015
3-[2-[1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]ethyl]furan-2-carboxylic acid
CID 91590904
dimethyl 2-[2-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]ethyl]propanedioate
CID 69146038
1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde
CID 89217716
2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethanol
CID 23109889
1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine
CID 142237015
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol
CID 59020094
4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
CID 111457378
dimethyl 5-[2-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]ethoxy]benzene-1,3-dicarboxylate
CID 69145925
2-[1-(2-hydroxyethyl)cyclononadecyl]ethanol
CID 150954870

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol?
The IUPAC name of 2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol (CID 59714995) is 2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol is Cc1ccc(NC2CCN(CCC3(CCO)CCCCC3)CC2)cc1.
What is the InChIKey of 2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol?
The InChIKey is QTWCVWLBHDOSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O/c1-19-5-7-20(8-6-19)23-21-9-15-24(16-10-21)17-13-22(14-18-25)11-3-2-4-12-22/h5-8,21,23,25H,2-4,9-18H2,1H3.
What are the key properties of 2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol?
2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol has a molecular weight of 344.54 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol is sourced from PubChem (CID 59714995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).