N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C12H23F3N2O — CID 107163718

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCN1CCC(C)(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-11(3-6-17(2)7-4-11)9-16-5-8-18-10-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyHZTFJZKCPXXIQQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds6

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 107163718) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID107163718
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCN1CCC(C)(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-11(3-6-17(2)7-4-11)9-16-5-8-18-10-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyHZTFJZKCPXXIQQ-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 107163718) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is CN1CCC(C)(CNCCOCC(F)(F)F)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is HZTFJZKCPXXIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-11(3-6-17(2)7-4-11)9-16-5-8-18-10-12(13,14)15/h16H,3-10H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 107163718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).