N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid)

C13H22F6N2O5 — CID 86637049

IUPACN,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CCOC1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2O.2C2HF3O2/c1-11(2)7-8-12-9-3-5-10-6-4-9;2*3-2(4,5)1(6)7/h9-10H,3-8H2,1-2H3;2*(H,6,7)
InChIKeyOUPVJIYDWSKXSL-UHFFFAOYSA-N
MW400.32 g/mol
LogP1.58
Rot. Bonds4

About N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 86637049) has the molecular formula C13H22F6N2O5 and a molecular weight of 400.32 g/mol. Its IUPAC name is N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID86637049
Molecular FormulaC13H22F6N2O5
Molecular Weight400.32 g/mol
Exact Mass400.14
IUPAC NameN,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CCOC1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2O.2C2HF3O2/c1-11(2)7-8-12-9-3-5-10-6-4-9;2*3-2(4,5)1(6)7/h9-10H,3-8H2,1-2H3;2*(H,6,7)
InChIKeyOUPVJIYDWSKXSL-UHFFFAOYSA-N
XLogP1.58
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid) (CID 86637049) is N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid) is CN(C)CCOC1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is OUPVJIYDWSKXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.2C2HF3O2/c1-11(2)7-8-12-9-3-5-10-6-4-9;2*3-2(4,5)1(6)7/h9-10H,3-8H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 400.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-piperidin-4-yloxyethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 86637049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).