1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol

C31H39NO2 — CID 15788976

IUPAC1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
SMILESCC(C)(C)c1ccc(C(O)CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C31H39NO2/c1-30(2,3)25-16-14-24(15-17-25)29(33)20-23-32-21-18-28(19-22-32)31(34,26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28-29,33-34H,18-23H2,1-3H3
InChIKeyALESALWALCAOCC-UHFFFAOYSA-N
MW457.66 g/mol
LogP6.06
Rot. Bonds7

About 1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol

1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol (PubChem CID 15788976) has the molecular formula C31H39NO2 and a molecular weight of 457.66 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
PubChem CID15788976
Molecular FormulaC31H39NO2
Molecular Weight457.66 g/mol
Exact Mass457.30
IUPAC Name1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
SMILESCC(C)(C)c1ccc(C(O)CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C31H39NO2/c1-30(2,3)25-16-14-24(15-17-25)29(33)20-23-32-21-18-28(19-22-32)31(34,26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28-29,33-34H,18-23H2,1-3H3
InChIKeyALESALWALCAOCC-UHFFFAOYSA-N
XLogP6.06
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
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
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 141172906
2-hydroxypropyl 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate
CID 175674529
2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
CID 59041922
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
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
2-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoic acid
CID 141260303
[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

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol (CID 15788976) is 1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol is CC(C)(C)c1ccc(C(O)CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol?
The InChIKey is ALESALWALCAOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO2/c1-30(2,3)25-16-14-24(15-17-25)29(33)20-23-32-21-18-28(19-22-32)31(34,26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28-29,33-34H,18-23H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol?
1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol has a molecular weight of 457.66 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 15788976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).