[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone

C13H21F3N2O3 — CID 102932999

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1CN(C(=O)C2CCC(C(F)(F)F)CN2)CC(CO)O1
InChIInChI=1S/C13H21F3N2O3/c1-8-5-18(6-10(7-19)21-8)12(20)11-3-2-9(4-17-11)13(14,15)16/h8-11,17,19H,2-7H2,1H3
InChIKeyDFILKXNHFSFYAB-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.53
Rot. Bonds2

About [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 102932999) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID102932999
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1CN(C(=O)C2CCC(C(F)(F)F)CN2)CC(CO)O1
InChIInChI=1S/C13H21F3N2O3/c1-8-5-18(6-10(7-19)21-8)12(20)11-3-2-9(4-17-11)13(14,15)16/h8-11,17,19H,2-7H2,1H3
InChIKeyDFILKXNHFSFYAB-UHFFFAOYSA-N
XLogP0.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 102932999) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone is CC1CN(C(=O)C2CCC(C(F)(F)F)CN2)CC(CO)O1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is DFILKXNHFSFYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-8-5-18(6-10(7-19)21-8)12(20)11-3-2-9(4-17-11)13(14,15)16/h8-11,17,19H,2-7H2,1H3.
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 310.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 102932999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).