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

C18H26F3NO — CID 126460908

IUPAC[4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol
SMILESCC(CC(F)(F)F)N1CCC(CO)(CCc2ccccc2)CC1
InChIInChI=1S/C18H26F3NO/c1-15(13-18(19,20)21)22-11-9-17(14-23,10-12-22)8-7-16-5-3-2-4-6-16/h2-6,15,23H,7-14H2,1H3
InChIKeyRSTCVYLZYDNCOR-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.03
Rot. Bonds6

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

[4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol (PubChem CID 126460908) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is [4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol
PubChem CID126460908
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name[4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol
SMILESCC(CC(F)(F)F)N1CCC(CO)(CCc2ccccc2)CC1
InChIInChI=1S/C18H26F3NO/c1-15(13-18(19,20)21)22-11-9-17(14-23,10-12-22)8-7-16-5-3-2-4-6-16/h2-6,15,23H,7-14H2,1H3
InChIKeyRSTCVYLZYDNCOR-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol (CID 126460908) is [4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol is CC(CC(F)(F)F)N1CCC(CO)(CCc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol?
The InChIKey is RSTCVYLZYDNCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-15(13-18(19,20)21)22-11-9-17(14-23,10-12-22)8-7-16-5-3-2-4-6-16/h2-6,15,23H,7-14H2,1H3.
What are the key properties of [4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol?
[4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol has a molecular weight of 329.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 126460908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).