1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol

C27H25F6NO3 — CID 11497364

IUPAC1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
SMILESOC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H25F6NO3/c28-26(29,30)36-22-10-6-20(7-11-22)24(21-8-12-23(13-9-21)37-27(31,32)33)25(35)14-16-34(17-15-25)18-19-4-2-1-3-5-19/h1-13,24,35H,14-18H2
InChIKeyIOCGAUXGXBMQGX-UHFFFAOYSA-N
MW525.49 g/mol
LogP6.64
Rot. Bonds7

About 1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol

1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol (PubChem CID 11497364) has the molecular formula C27H25F6NO3 and a molecular weight of 525.49 g/mol. Its IUPAC name is 1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
PubChem CID11497364
Molecular FormulaC27H25F6NO3
Molecular Weight525.49 g/mol
Exact Mass525.17
IUPAC Name1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
SMILESOC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H25F6NO3/c28-26(29,30)36-22-10-6-20(7-11-22)24(21-8-12-23(13-9-21)37-27(31,32)33)25(35)14-16-34(17-15-25)18-19-4-2-1-3-5-19/h1-13,24,35H,14-18H2
InChIKeyIOCGAUXGXBMQGX-UHFFFAOYSA-N
XLogP6.64
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.49
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethylcyclopropane;ethane;4-[(4-methylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]-1-[(4-pyridin-2-yloxyphenyl)methyl]piperidin-4-ol
CID 143201465
4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
CID 16656274
8-benzyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 53233981
phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 55625829
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
3-benzyl-8-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11993277
4-[1-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]benzoic acid
CID 68967376
1-methyl-4-[phenyl-[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-4-ol
CID 176695730
[3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 45197621
4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 134141837
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
CID 23081158
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107320803

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol (CID 11497364) is 1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol is OC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol?
The InChIKey is IOCGAUXGXBMQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6NO3/c28-26(29,30)36-22-10-6-20(7-11-22)24(21-8-12-23(13-9-21)37-27(31,32)33)25(35)14-16-34(17-15-25)18-19-4-2-1-3-5-19/h1-13,24,35H,14-18H2.
What are the key properties of 1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol?
1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol has a molecular weight of 525.49 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 11497364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).