1-methylpiperidine;bis(2,2,2-trifluoroacetic acid)

C10H15F6NO4 — CID 87331392

IUPAC1-methylpiperidine;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13N.2C2HF3O2/c1-7-5-3-2-4-6-7;2*3-2(4,5)1(6)7/h2-6H2,1H3;2*(H,6,7)
InChIKeyQGNPYBCTKUECBA-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.37
Rot. Bonds

About 1-methylpiperidine;bis(2,2,2-trifluoroacetic acid)

1-methylpiperidine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87331392) has the molecular formula C10H15F6NO4 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-methylpiperidine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-methylpiperidine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87331392
Molecular FormulaC10H15F6NO4
Molecular Weight327.22 g/mol
Exact Mass327.09
IUPAC Name1-methylpiperidine;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13N.2C2HF3O2/c1-7-5-3-2-4-6-7;2*3-2(4,5)1(6)7/h2-6H2,1H3;2*(H,6,7)
InChIKeyQGNPYBCTKUECBA-UHFFFAOYSA-N
XLogP2.37
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-methylpiperidine;bis(2,2,2-trifluoroacetic acid) (CID 87331392) is 1-methylpiperidine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-methylpiperidine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-methylpiperidine;bis(2,2,2-trifluoroacetic acid) is CN1CCCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methylpiperidine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is QGNPYBCTKUECBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.2C2HF3O2/c1-7-5-3-2-4-6-7;2*3-2(4,5)1(6)7/h2-6H2,1H3;2*(H,6,7).
What are the key properties of 1-methylpiperidine;bis(2,2,2-trifluoroacetic acid)?
1-methylpiperidine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 327.22 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87331392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).