2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine

C12H23F3N2 — CID 63132922

IUPAC2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
SMILESCCCC1(CN(C)CC(F)(F)F)CCCNC1
InChIInChI=1S/C12H23F3N2/c1-3-5-11(6-4-7-16-8-11)9-17(2)10-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyMZAQRTIIBKWAFL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine (PubChem CID 63132922) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
PubChem CID63132922
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
SMILESCCCC1(CN(C)CC(F)(F)F)CCCNC1
InChIInChI=1S/C12H23F3N2/c1-3-5-11(6-4-7-16-8-11)9-17(2)10-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyMZAQRTIIBKWAFL-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine (CID 63132922) is 2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine is CCCC1(CN(C)CC(F)(F)F)CCCNC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is MZAQRTIIBKWAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-3-5-11(6-4-7-16-8-11)9-17(2)10-12(13,14)15/h16H,3-10H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 63132922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).