1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

C20H22F3NO — CID 110535914

IUPAC1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2)CC1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)18-8-4-7-16(12-18)11-17-14-24(10-9-19(17)25)13-15-5-2-1-3-6-15/h1-8,12,17,19,25H,9-11,13-14H2
InChIKeyJRLDFKUBNFKQMQ-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.13
Rot. Bonds4

About 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 110535914) has the molecular formula C20H22F3NO and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID110535914
Molecular FormulaC20H22F3NO
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2)CC1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)18-8-4-7-16(12-18)11-17-14-24(10-9-19(17)25)13-15-5-2-1-3-6-15/h1-8,12,17,19,25H,9-11,13-14H2
InChIKeyJRLDFKUBNFKQMQ-UHFFFAOYSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 52878093
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 95560258
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
CID 110535833

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 110535914) is 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccccc2)CC1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is JRLDFKUBNFKQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO/c21-20(22,23)18-8-4-7-16(12-18)11-17-14-24(10-9-19(17)25)13-15-5-2-1-3-6-15/h1-8,12,17,19,25H,9-11,13-14H2.
What are the key properties of 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 349.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 110535914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).