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

C12H19F3N2O — CID 114271786

IUPAC(4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)N2CCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C12H19F3N2O/c1-9-2-5-16(6-3-9)11(18)17-7-4-10(8-17)12(13,14)15/h9-10H,2-8H2,1H3
InChIKeyQRSPBRAYXLEYJB-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.72
Rot. Bonds

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

(4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 114271786) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID114271786
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name(4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)N2CCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C12H19F3N2O/c1-9-2-5-16(6-3-9)11(18)17-7-4-10(8-17)12(13,14)15/h9-10H,2-8H2,1H3
InChIKeyQRSPBRAYXLEYJB-UHFFFAOYSA-N
XLogP2.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 114271786) is (4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is CC1CCN(C(=O)N2CCC(C(F)(F)F)C2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is QRSPBRAYXLEYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-9-2-5-16(6-3-9)11(18)17-7-4-10(8-17)12(13,14)15/h9-10H,2-8H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 264.29 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114271786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).