N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)

C12H20F6N2O4 — CID 171927990

IUPACN,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CN1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.2C2HF3O2/c1-9(2)8-10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H2,1-2H3;2*(H,6,7)
InChIKeyJVCXCYDJGTYMLM-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.26
Rot. Bonds2

About N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171927990) has the molecular formula C12H20F6N2O4 and a molecular weight of 370.29 g/mol. Its IUPAC name is N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171927990
Molecular FormulaC12H20F6N2O4
Molecular Weight370.29 g/mol
Exact Mass370.13
IUPAC NameN,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CN1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.2C2HF3O2/c1-9(2)8-10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H2,1-2H3;2*(H,6,7)
InChIKeyJVCXCYDJGTYMLM-UHFFFAOYSA-N
XLogP2.26
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-piperidin-1-ylmethanamine;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-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid) (CID 171927990) is N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid) is CN(C)CN1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JVCXCYDJGTYMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2C2HF3O2/c1-9(2)8-10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 370.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171927990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).