(4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C11H17F3N2O2 — CID 63709656

IUPAC(4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCC(O)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(3-4-15-7-10)9(18)16-5-1-8(17)2-6-16/h8,15,17H,1-7H2
InChIKeyBISUEKYFBROGDA-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.51
Rot. Bonds1

About (4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63709656) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63709656
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name(4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCC(O)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(3-4-15-7-10)9(18)16-5-1-8(17)2-6-16/h8,15,17H,1-7H2
InChIKeyBISUEKYFBROGDA-UHFFFAOYSA-N
XLogP0.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63709656) is (4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(N1CCC(O)CC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is BISUEKYFBROGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)10(3-4-15-7-10)9(18)16-5-1-8(17)2-6-16/h8,15,17H,1-7H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 266.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63709656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).