diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol

C29H32F3NO2 — CID 54669634

IUPACdiphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol
SMILESCC(CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H32F3NO2/c1-22(35-27-14-12-26(13-15-27)29(30,31)32)16-19-33-20-17-25(18-21-33)28(34,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,22,25,34H,16-21H2,1H3
InChIKeyMEBOPYWLQFVQJH-UHFFFAOYSA-N
MW483.57 g/mol
LogP6.51
Rot. Bonds8

About diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol

diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol (PubChem CID 54669634) has the molecular formula C29H32F3NO2 and a molecular weight of 483.57 g/mol. Its IUPAC name is diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Namediphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol
PubChem CID54669634
Molecular FormulaC29H32F3NO2
Molecular Weight483.57 g/mol
Exact Mass483.24
IUPAC Namediphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol
SMILESCC(CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H32F3NO2/c1-22(35-27-14-12-26(13-15-27)29(30,31)32)16-19-33-20-17-25(18-21-33)28(34,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,22,25,34H,16-21H2,1H3
InChIKeyMEBOPYWLQFVQJH-UHFFFAOYSA-N
XLogP6.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
CID 15788976
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669285
[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669110
[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
CID 44907120
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol;2,2,2-trifluoroacetic acid
CID 53300854
1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
CID 151955496
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924
2-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoic acid
CID 141260303
3-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-3-methylbut-1-en-2-ol
CID 89189674

Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol?
The IUPAC name of diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol (CID 54669634) is diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol.
What is the SMILES notation for diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol?
The canonical SMILES for diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol is CC(CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol?
The InChIKey is MEBOPYWLQFVQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3NO2/c1-22(35-27-14-12-26(13-15-27)29(30,31)32)16-19-33-20-17-25(18-21-33)28(34,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,22,25,34H,16-21H2,1H3.
What are the key properties of diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol?
diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol has a molecular weight of 483.57 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-[3-[4-(trifluoromethyl)phenoxy]butyl]piperidin-4-yl]methanol is sourced from PubChem (CID 54669634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).