1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol

C34H47NO3 — CID 66603923

IUPAC1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
SMILESCC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CCO
InChIInChI=1S/C32H41NO2.C2H6O/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28;1-2-3/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3;3H,2H2,1H3
InChIKeyLWUPPRMRMFKAIK-UHFFFAOYSA-N
MW517.75 g/mol
LogP6.44
Rot. Bonds8

About 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol

1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol (PubChem CID 66603923) has the molecular formula C34H47NO3 and a molecular weight of 517.75 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
PubChem CID66603923
Molecular FormulaC34H47NO3
Molecular Weight517.75 g/mol
Exact Mass517.36
IUPAC Name1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
SMILESCC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CCO
InChIInChI=1S/C32H41NO2.C2H6O/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28;1-2-3/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3;3H,2H2,1H3
InChIKeyLWUPPRMRMFKAIK-UHFFFAOYSA-N
XLogP6.44
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.75
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
CID 15788976
1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 141172906
3-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-3-methylbut-1-en-2-ol
CID 89189674
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;yttrium
CID 169429870
2-hydroxypropyl 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate
CID 175674529
[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669285
4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-propan-2-ylphenyl)butan-1-ol;4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-propan-2-ylphenyl)butan-1-one
CID 157213890
methyl 2-[4-[1-hydroxy-4-[4-[[2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoyl]oxy-diphenylmethyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate
CID 90831482
[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669110
[1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate
CID 159934923
2-[di(propan-2-yl)amino]ethyl 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate;hydrochloride
CID 54767254
2-[2-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
CID 54420735

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol (CID 66603923) is 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol is CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CCO.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol?
The InChIKey is LWUPPRMRMFKAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NO2.C2H6O/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28;1-2-3/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3;3H,2H2,1H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol?
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol has a molecular weight of 517.75 g/mol, XLogP of 6.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol is sourced from PubChem (CID 66603923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).