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

C12H19F3N2O — CID 63708742

IUPAC(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C12H19F3N2O/c1-9-3-2-6-17(7-9)10(18)11(12(13,14)15)4-5-16-8-11/h9,16H,2-8H2,1H3
InChIKeyUURILRVSHRIWFB-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.79
Rot. Bonds1

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

(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63708742) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63708742
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C12H19F3N2O/c1-9-3-2-6-17(7-9)10(18)11(12(13,14)15)4-5-16-8-11/h9,16H,2-8H2,1H3
InChIKeyUURILRVSHRIWFB-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63708742) is (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CC1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is UURILRVSHRIWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-9-3-2-6-17(7-9)10(18)11(12(13,14)15)4-5-16-8-11/h9,16H,2-8H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 264.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63708742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).