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

C9H16F3NO3 — CID 22507710

IUPAC4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid
SMILESCOCC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO.C2HF3O2/c1-9-6-7-2-4-8-5-3-7;3-2(4,5)1(6)7/h7-8H,2-6H2,1H3;(H,6,7)
InChIKeySWVXICXVQDJFRV-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.27
Rot. Bonds2

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

4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid (PubChem CID 22507710) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid
PubChem CID22507710
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid
SMILESCOCC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO.C2HF3O2/c1-9-6-7-2-4-8-5-3-7;3-2(4,5)1(6)7/h7-8H,2-6H2,1H3;(H,6,7)
InChIKeySWVXICXVQDJFRV-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Piperidinylmethyl acetate hydrochloride
CID 53410152
2,2,2-Trifluoroethyl piperidine-4-carboxylate hydrochloride
CID 165948089
Fluoroethylpiperidin-4ylmethyl acetate
CID 129847471
Piperidin-4-ylmethyl acetate
CID 345948
4-Methoxymethyl-4-methylpiperidine trifluoroacetate
CID 22507724
(4-Methyl-piperidin-4-yl)-methanol trifluoroacetate
CID 22507736
Methyl 3-(trifluoromethyl)piperidine-4-carboxylate
CID 53404055
Ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
CID 59527815
4-Ethoxycarbonyl-4-ethylpiperidine trifluoroacetate
CID 66988009
2-Oxa-7-azaspiro[3.5]nonane 2,2,2-trifluoroacetate
CID 67074719
(4-Methylpiperidin-4-yl)methyl 2,2,2-trifluoroacetate
CID 68434842
Piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
CID 68619391

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid (CID 22507710) is 4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid is COCC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is SWVXICXVQDJFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2HF3O2/c1-9-6-7-2-4-8-5-3-7;3-2(4,5)1(6)7/h7-8H,2-6H2,1H3;(H,6,7).
What are the key properties of 4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid?
4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 243.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22507710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).