2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine

C12H23F3N2 — CID 55220495

IUPAC2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-11(2,3)16-7-10-5-4-6-17(8-10)9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyZYTROTPJDKJKFV-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds3

About 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 55220495) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID55220495
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-11(2,3)16-7-10-5-4-6-17(8-10)9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyZYTROTPJDKJKFV-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine (CID 55220495) is 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is ZYTROTPJDKJKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-11(2,3)16-7-10-5-4-6-17(8-10)9-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55220495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).