N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide

C11H19F3N2O — CID 21136021

IUPACN-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCCCCN1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-3-6-16-7-4-9(5-8-16)15-10(17)11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyGXTKOVWNIMTJFM-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.93
Rot. Bonds4

About N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide

N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 21136021) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide
PubChem CID21136021
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCCCCN1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-3-6-16-7-4-9(5-8-16)15-10(17)11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyGXTKOVWNIMTJFM-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide (CID 21136021) is N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide is CCCCN1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is GXTKOVWNIMTJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-3-6-16-7-4-9(5-8-16)15-10(17)11(12,13)14/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 252.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21136021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).