[3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol

C17H24F3NO2 — CID 72844676

IUPAC[3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H24F3NO2/c1-23-10-8-16(13-22)7-2-9-21(12-16)11-14-3-5-15(6-4-14)17(18,19)20/h3-6,22H,2,7-13H2,1H3
InChIKeySMBHHXOYERPUSV-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.32
Rot. Bonds6

About [3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol

[3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol (PubChem CID 72844676) has the molecular formula C17H24F3NO2 and a molecular weight of 331.38 g/mol. Its IUPAC name is [3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
PubChem CID72844676
Molecular FormulaC17H24F3NO2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name[3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H24F3NO2/c1-23-10-8-16(13-22)7-2-9-21(12-16)11-14-3-5-15(6-4-14)17(18,19)20/h3-6,22H,2,7-13H2,1H3
InChIKeySMBHHXOYERPUSV-UHFFFAOYSA-N
XLogP3.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol (CID 72844676) is [3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol is COCCC1(CO)CCCN(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of [3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is SMBHHXOYERPUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO2/c1-23-10-8-16(13-22)7-2-9-21(12-16)11-14-3-5-15(6-4-14)17(18,19)20/h3-6,22H,2,7-13H2,1H3.
What are the key properties of [3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol?
[3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 331.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 72844676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).