[3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol

C21H24F3NO2 — CID 45197621

IUPAC[3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2)CCCN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C21H24F3NO2/c22-21(23,24)27-19-9-7-18(8-10-19)14-25-12-4-11-20(15-25,16-26)13-17-5-2-1-3-6-17/h1-3,5-10,26H,4,11-16H2
InChIKeyLLPVVEBKMYZRMZ-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.40
Rot. Bonds6

About [3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol

[3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol (PubChem CID 45197621) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is [3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
PubChem CID45197621
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name[3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2)CCCN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C21H24F3NO2/c22-21(23,24)27-19-9-7-18(8-10-19)14-25-12-4-11-20(15-25,16-26)13-17-5-2-1-3-6-17/h1-3,5-10,26H,4,11-16H2
InChIKeyLLPVVEBKMYZRMZ-UHFFFAOYSA-N
XLogP4.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615
[3-benzyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]methanol
CID 45193972
3-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034614
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25305426
[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 25488539
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107320803
[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 23723435
1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
CID 11497364
[3-[(4-fluorophenyl)methyl]-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]methanol
CID 45183780
4-[4-[[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 45177304
[(3S)-3-[(4-fluorophenyl)methyl]-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
CID 42189124

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol (CID 45197621) is [3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol is OCC1(Cc2ccccc2)CCCN(Cc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of [3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is LLPVVEBKMYZRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO2/c22-21(23,24)27-19-9-7-18(8-10-19)14-25-12-4-11-20(15-25,16-26)13-17-5-2-1-3-6-17/h1-3,5-10,26H,4,11-16H2.
What are the key properties of [3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol?
[3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 379.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45197621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).