2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine

C9H17F3N2 — CID 67947318

IUPAC2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
SMILESCN(C[C@@H]1CCCCN1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)6-8-4-2-3-5-13-8/h8,13H,2-7H2,1H3/t8-/m0/s1
InChIKeyDNQUGJKEVJJBKA-QMMMGPOBSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine (PubChem CID 67947318) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
PubChem CID67947318
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
SMILESCN(C[C@@H]1CCCCN1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)6-8-4-2-3-5-13-8/h8,13H,2-7H2,1H3/t8-/m0/s1
InChIKeyDNQUGJKEVJJBKA-QMMMGPOBSA-N
XLogP1.62
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 ≤ 51.62
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-[[(2S)-piperidin-2-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine (CID 67947318) is 2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine is CN(C[C@@H]1CCCCN1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine?
The InChIKey is DNQUGJKEVJJBKA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-14(7-9(10,11)12)6-8-4-2-3-5-13-8/h8,13H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 3 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-[[(2S)-piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 67947318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).