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

C20H19F6NO3 — CID 16656274

IUPAC4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
SMILESOC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCNCC1
InChIInChI=1S/C20H19F6NO3/c21-19(22,23)29-15-5-1-13(2-6-15)17(18(28)9-11-27-12-10-18)14-3-7-16(8-4-14)30-20(24,25)26/h1-8,17,27-28H,9-12H2
InChIKeyQIAIHLMAMZYTCT-UHFFFAOYSA-N
MW435.36 g/mol
LogP4.73
Rot. Bonds5

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

4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol (PubChem CID 16656274) has the molecular formula C20H19F6NO3 and a molecular weight of 435.36 g/mol. Its IUPAC name is 4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
PubChem CID16656274
Molecular FormulaC20H19F6NO3
Molecular Weight435.36 g/mol
Exact Mass435.13
IUPAC Name4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
SMILESOC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCNCC1
InChIInChI=1S/C20H19F6NO3/c21-19(22,23)29-15-5-1-13(2-6-15)17(18(28)9-11-27-12-10-18)14-3-7-16(8-4-14)30-20(24,25)26/h1-8,17,27-28H,9-12H2
InChIKeyQIAIHLMAMZYTCT-UHFFFAOYSA-N
XLogP4.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
CID 11497364
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171272564
2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 68852749
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
1-[(1R)-2-fluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171182554
N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride
CID 120567149
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 141316101
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279194
1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779

Frequently Asked Questions

What is the IUPAC name of 4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol (CID 16656274) is 4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol is OC1(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CCNCC1.
What is the InChIKey of 4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol?
The InChIKey is QIAIHLMAMZYTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO3/c21-19(22,23)29-15-5-1-13(2-6-15)17(18(28)9-11-27-12-10-18)14-3-7-16(8-4-14)30-20(24,25)26/h1-8,17,27-28H,9-12H2.
What are the key properties of 4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol?
4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol has a molecular weight of 435.36 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 16656274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).