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

C9H17F3N2 — CID 61205687

IUPACN-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2/c1-13-5-8-3-2-4-14(6-8)7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyXQFMHRWHVRGKDJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.48
Rot. Bonds3

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

N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine (PubChem CID 61205687) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine
PubChem CID61205687
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2/c1-13-5-8-3-2-4-14(6-8)7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyXQFMHRWHVRGKDJ-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine (CID 61205687) is N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine is CNCC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine?
The InChIKey is XQFMHRWHVRGKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-13-5-8-3-2-4-14(6-8)7-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine has a molecular weight of 210.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 61205687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).