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

C15H25F3N2O — CID 63708965

IUPAC(4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC(C)(C)C1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C15H25F3N2O/c1-13(2,3)11-4-8-20(9-5-11)12(21)14(15(16,17)18)6-7-19-10-14/h11,19H,4-10H2,1-3H3
InChIKeyYHPZIXAWAARNCY-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.81
Rot. Bonds1

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

(4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 63708965) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID63708965
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name(4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC(C)(C)C1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C15H25F3N2O/c1-13(2,3)11-4-8-20(9-5-11)12(21)14(15(16,17)18)6-7-19-10-14/h11,19H,4-10H2,1-3H3
InChIKeyYHPZIXAWAARNCY-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 63708965) is (4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CC(C)(C)C1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is YHPZIXAWAARNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-13(2,3)11-4-8-20(9-5-11)12(21)14(15(16,17)18)6-7-19-10-14/h11,19H,4-10H2,1-3H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 306.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 63708965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).