[2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C12H19F3N2O2 — CID 63708766

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCCCC1CO)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(4-5-16-8-11)10(19)17-6-2-1-3-9(17)7-18/h9,16,18H,1-8H2
InChIKeyHKHREEQCGFIYAL-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.90
Rot. Bonds2

About [2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

[2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63708766) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63708766
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCCCC1CO)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(4-5-16-8-11)10(19)17-6-2-1-3-9(17)7-18/h9,16,18H,1-8H2
InChIKeyHKHREEQCGFIYAL-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63708766) is [2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(N1CCCCC1CO)C1(C(F)(F)F)CCNC1.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is HKHREEQCGFIYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)11(4-5-16-8-11)10(19)17-6-2-1-3-9(17)7-18/h9,16,18H,1-8H2.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
[2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 280.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63708766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).