4-methylpiperidine;2,2,2-trifluoroacetic acid

C8H14F3NO2 — CID 172829047

IUPAC4-methylpiperidine;2,2,2-trifluoroacetic acid
SMILESCC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13N.C2HF3O2/c1-6-2-4-7-5-3-6;3-2(4,5)1(6)7/h6-7H,2-5H2,1H3;(H,6,7)
InChIKeyVGPHSFDBNIIHSJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.64
Rot. Bonds

About 4-methylpiperidine;2,2,2-trifluoroacetic acid

4-methylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 172829047) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-methylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID172829047
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name4-methylpiperidine;2,2,2-trifluoroacetic acid
SMILESCC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13N.C2HF3O2/c1-6-2-4-7-5-3-6;3-2(4,5)1(6)7/h6-7H,2-5H2,1H3;(H,6,7)
InChIKeyVGPHSFDBNIIHSJ-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methylpiperidine;2,2,2-trifluoroacetic acid (CID 172829047) is 4-methylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methylpiperidine;2,2,2-trifluoroacetic acid is CC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is VGPHSFDBNIIHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2HF3O2/c1-6-2-4-7-5-3-6;3-2(4,5)1(6)7/h6-7H,2-5H2,1H3;(H,6,7).
What are the key properties of 4-methylpiperidine;2,2,2-trifluoroacetic acid?
4-methylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 213.20 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172829047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).