4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid

C10H18F3NO3 — CID 22507724

IUPAC4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid
SMILESCOCC1(C)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17NO.C2HF3O2/c1-8(7-10-2)3-5-9-6-4-8;3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;(H,6,7)
InChIKeyBEBKHDWNTHYDSR-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.66
Rot. Bonds2

About 4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid

4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 22507724) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID22507724
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid
SMILESCOCC1(C)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17NO.C2HF3O2/c1-8(7-10-2)3-5-9-6-4-8;3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;(H,6,7)
InChIKeyBEBKHDWNTHYDSR-UHFFFAOYSA-N
XLogP1.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid (CID 22507724) is 4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid is COCC1(C)CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is BEBKHDWNTHYDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2HF3O2/c1-8(7-10-2)3-5-9-6-4-8;3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;(H,6,7).
What are the key properties of 4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid?
4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 257.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-methylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22507724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).