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

C32H41NO2 — CID 5405

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IUPAC1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESCC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H41NO2/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/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
InChIKeyGUGOEEXESWIERI-UHFFFAOYSA-N
MW471.69 g/mol
LogP6.45
Rot. Bonds8

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

1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol (PubChem CID 5405) has the molecular formula C32H41NO2 and a molecular weight of 471.69 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
PubChem CID5405
Molecular FormulaC32H41NO2
Molecular Weight471.69 g/mol
Exact Mass471.31
IUPAC Name1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESCC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H41NO2/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/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
InChIKeyGUGOEEXESWIERI-UHFFFAOYSA-N
XLogP6.45
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Fexofenadine
CID 3348
Fexofenadine Hydrochloride
CID 63002
Glemanserin
CID 71781
Danitracen
CID 35758
Lobelanidine
CID 442646
Terfenadine, (S)-
CID 6604035
1-Benzyl-3-[hydroxy(phenyl)methyl]-4-phenyl-4-piperidinol
CID 2975495
(R)-(+)-Terfenadine
CID 7048803
1-(3,3-Diphenylpropyl)-4-phenylpiperidin-4-ol
CID 44426803
1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol
CID 3083481
1-Methyl-alpha,alpha-diphenyl-4-piperidinemethanol
CID 201485
1-Piperidinebutanol, 4-(hydroxydiphenylmethyl)-alpha-(4-(1-methylethyl)phenyl)-
CID 24018644

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol (CID 5405) is 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol is CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
The InChIKey is GUGOEEXESWIERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NO2/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/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol has a molecular weight of 471.69 g/mol, XLogP of 6.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 5405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).