(3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C13H21F3N2O — CID 63709115

IUPAC(3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CC(C)CN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H21F3N2O/c1-9-5-10(2)7-18(6-9)11(19)12(13(14,15)16)3-4-17-8-12/h9-10,17H,3-8H2,1-2H3
InChIKeyHHBMURQMISMLAR-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.03
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63709115) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63709115
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CC(C)CN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H21F3N2O/c1-9-5-10(2)7-18(6-9)11(19)12(13(14,15)16)3-4-17-8-12/h9-10,17H,3-8H2,1-2H3
InChIKeyHHBMURQMISMLAR-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63709115) is (3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CC1CC(C)CN(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is HHBMURQMISMLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-9-5-10(2)7-18(6-9)11(19)12(13(14,15)16)3-4-17-8-12/h9-10,17H,3-8H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 278.32 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63709115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).