1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol

C32H41NO3 — CID 141172906

IUPAC1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESCCC(CO)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H41NO3/c1-2-25(24-34)26-15-17-27(18-16-26)31(35)14-9-21-33-22-19-30(20-23-33)32(36,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-13,15-18,25,30-31,34-36H,2,9,14,19-24H2,1H3
InChIKeyFLOXINGQOIJPIU-UHFFFAOYSA-N
MW487.68 g/mol
LogP5.63
Rot. Bonds11

About 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol

1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol (PubChem CID 141172906) has the molecular formula C32H41NO3 and a molecular weight of 487.68 g/mol. Its IUPAC name is 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
PubChem CID141172906
Molecular FormulaC32H41NO3
Molecular Weight487.68 g/mol
Exact Mass487.31
IUPAC Name1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
SMILESCCC(CO)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H41NO3/c1-2-25(24-34)26-15-17-27(18-16-26)31(35)14-9-21-33-22-19-30(20-23-33)32(36,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-13,15-18,25,30-31,34-36H,2,9,14,19-24H2,1H3
InChIKeyFLOXINGQOIJPIU-UHFFFAOYSA-N
XLogP5.63
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.68
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol with MolForge

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Related Compounds

1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol
CID 141172908
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-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
CID 15788976
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
[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669110
[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669285
2-hydroxypropyl 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoate
CID 175674529
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
2-[2-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
CID 54420735
2-[2-ethyl-4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]-3-(hydroxymethyl)phenyl]acetic acid
CID 91213459

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
The IUPAC name of 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol (CID 141172906) is 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol is CCC(CO)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
The InChIKey is FLOXINGQOIJPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NO3/c1-2-25(24-34)26-15-17-27(18-16-26)31(35)14-9-21-33-22-19-30(20-23-33)32(36,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-13,15-18,25,30-31,34-36H,2,9,14,19-24H2,1H3.
What are the key properties of 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol?
1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol has a molecular weight of 487.68 g/mol, XLogP of 5.63, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 141172906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).