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

C12H19F3N2O2 — CID 55227456

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCCC(CO)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(3-4-16-8-11)10(19)17-5-1-2-9(6-17)7-18/h9,16,18H,1-8H2
InChIKeyYZQKKMWUZMUWFV-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.76
Rot. Bonds2

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

[3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 55227456) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID55227456
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCCC(CO)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(3-4-16-8-11)10(19)17-5-1-2-9(6-17)7-18/h9,16,18H,1-8H2
InChIKeyYZQKKMWUZMUWFV-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 55227456) is [3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(N1CCCC(CO)C1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is YZQKKMWUZMUWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)11(3-4-16-8-11)10(19)17-5-1-2-9(6-17)7-18/h9,16,18H,1-8H2.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
[3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 280.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 55227456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).