[3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol

C18H26F3NO — CID 23724060

IUPAC[3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
SMILESOCC1(CCc2ccccc2)CCCN(CCCC(F)(F)F)C1
InChIInChI=1S/C18H26F3NO/c19-18(20,21)10-5-13-22-12-4-9-17(14-22,15-23)11-8-16-6-2-1-3-7-16/h1-3,6-7,23H,4-5,8-15H2
InChIKeyYXWZFJDIKZHRQM-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.04
Rot. Bonds7

About [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol

[3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol (PubChem CID 23724060) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
PubChem CID23724060
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name[3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
SMILESOCC1(CCc2ccccc2)CCCN(CCCC(F)(F)F)C1
InChIInChI=1S/C18H26F3NO/c19-18(20,21)10-5-13-22-12-4-9-17(14-22,15-23)11-8-16-6-2-1-3-7-16/h1-3,6-7,23H,4-5,8-15H2
InChIKeyYXWZFJDIKZHRQM-UHFFFAOYSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol with MolForge

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Related Compounds

(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
CID 2734218
4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CID 10176880
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
CID 139594270
2-Methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448
(3-Benzyl-1-cyclopentylpiperidin-3-yl)methanol
CID 16188206
{3-benzyl-1-[(2E)-2-methylbut-2-en-1-yl]piperidin-3-yl}methanol
CID 16188287
[1-Cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 23723713
{3-(2-Fluorobenzyl)-1-[3-(methylthio)propyl]piperidin-3-yl}methanol
CID 23723791
[1-But-3-enoyl-3-(2,4-difluorobenzyl)piperidin-3-yl]methanol
CID 23724064
(4-Benzyl-1-methylpiperidin-4-yl)methanol
CID 16191162
US11214540, Example 13
CID 142475191
US11214540, Example 2
CID 142475315

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol (CID 23724060) is [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol is OCC1(CCc2ccccc2)CCCN(CCCC(F)(F)F)C1.
What is the InChIKey of [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
The InChIKey is YXWZFJDIKZHRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c19-18(20,21)10-5-13-22-12-4-9-17(14-22,15-23)11-8-16-6-2-1-3-7-16/h1-3,6-7,23H,4-5,8-15H2.
What are the key properties of [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
[3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol has a molecular weight of 329.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenylethyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol is sourced from PubChem (CID 23724060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).