2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one

C15H25F3N2O — CID 126750357

IUPAC2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCCC2C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O/c1-14(2,3)13(21)19-9-6-11(7-10-19)20-8-4-5-12(20)15(16,17)18/h11-12H,4-10H2,1-3H3
InChIKeyCHQUEWRXMUOXCX-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.05
Rot. Bonds1

About 2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 126750357) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID126750357
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCCC2C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O/c1-14(2,3)13(21)19-9-6-11(7-10-19)20-8-4-5-12(20)15(16,17)18/h11-12H,4-10H2,1-3H3
InChIKeyCHQUEWRXMUOXCX-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one (CID 126750357) is 2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(N2CCCC2C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is CHQUEWRXMUOXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-14(2,3)13(21)19-9-6-11(7-10-19)20-8-4-5-12(20)15(16,17)18/h11-12H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 306.37 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).