2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine

C11H15F3N2 — CID 71732625

IUPAC2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine
SMILESCn1ccc(C2(C(F)(F)F)CCCCN2)c1
InChIInChI=1S/C11H15F3N2/c1-16-7-4-9(8-16)10(11(12,13)14)5-2-3-6-15-10/h4,7-8,15H,2-3,5-6H2,1H3
InChIKeyQLRSUQQEUOIFEJ-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.56
Rot. Bonds1

About 2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine

2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine (PubChem CID 71732625) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine
PubChem CID71732625
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine
SMILESCn1ccc(C2(C(F)(F)F)CCCCN2)c1
InChIInChI=1S/C11H15F3N2/c1-16-7-4-9(8-16)10(11(12,13)14)5-2-3-6-15-10/h4,7-8,15H,2-3,5-6H2,1H3
InChIKeyQLRSUQQEUOIFEJ-UHFFFAOYSA-N
XLogP2.56
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine?
The IUPAC name of 2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine (CID 71732625) is 2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine is Cn1ccc(C2(C(F)(F)F)CCCCN2)c1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine?
The InChIKey is QLRSUQQEUOIFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-16-7-4-9(8-16)10(11(12,13)14)5-2-3-6-15-10/h4,7-8,15H,2-3,5-6H2,1H3.
What are the key properties of 2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine?
2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine has a molecular weight of 232.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 71732625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).