2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol

C16H29F3N2O — CID 83998935

IUPAC2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol
SMILESOCCN1CC(CC(F)(F)F)CC(NCC2CCCCC2)C1
InChIInChI=1S/C16H29F3N2O/c17-16(18,19)9-14-8-15(12-21(11-14)6-7-22)20-10-13-4-2-1-3-5-13/h13-15,20,22H,1-12H2
InChIKeySQOSNECWFJDFIJ-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.79
Rot. Bonds6

About 2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol

2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol (PubChem CID 83998935) has the molecular formula C16H29F3N2O and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol
PubChem CID83998935
Molecular FormulaC16H29F3N2O
Molecular Weight322.42 g/mol
Exact Mass322.22
IUPAC Name2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol
SMILESOCCN1CC(CC(F)(F)F)CC(NCC2CCCCC2)C1
InChIInChI=1S/C16H29F3N2O/c17-16(18,19)9-14-8-15(12-21(11-14)6-7-22)20-10-13-4-2-1-3-5-13/h13-15,20,22H,1-12H2
InChIKeySQOSNECWFJDFIJ-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol (CID 83998935) is 2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol is OCCN1CC(CC(F)(F)F)CC(NCC2CCCCC2)C1.
What is the InChIKey of 2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol?
The InChIKey is SQOSNECWFJDFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2O/c17-16(18,19)9-14-8-15(12-21(11-14)6-7-22)20-10-13-4-2-1-3-5-13/h13-15,20,22H,1-12H2.
What are the key properties of 2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol?
2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol has a molecular weight of 322.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 83998935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).