2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine

C16H23F3N2 — CID 62122833

IUPAC2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CCCN(CC(N)c2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C16H23F3N2/c1-11-5-4-8-21(12(11)2)10-15(20)13-6-3-7-14(9-13)16(17,18)19/h3,6-7,9,11-12,15H,4-5,8,10,20H2,1-2H3
InChIKeyKFNORWPJTFXXAM-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.83
Rot. Bonds3

About 2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine

2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62122833) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID62122833
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CCCN(CC(N)c2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C16H23F3N2/c1-11-5-4-8-21(12(11)2)10-15(20)13-6-3-7-14(9-13)16(17,18)19/h3,6-7,9,11-12,15H,4-5,8,10,20H2,1-2H3
InChIKeyKFNORWPJTFXXAM-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 62122833) is 2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine is CC1CCCN(CC(N)c2cccc(C(F)(F)F)c2)C1C.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is KFNORWPJTFXXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-11-5-4-8-21(12(11)2)10-15(20)13-6-3-7-14(9-13)16(17,18)19/h3,6-7,9,11-12,15H,4-5,8,10,20H2,1-2H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 300.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62122833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).