[4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate

C9H14F3NO3 — CID 69488055

IUPAC[4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOCC1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c1-15-6-7-2-4-13(5-3-7)16-8(14)9(10,11)12/h7H,2-6H2,1H3
InChIKeyDIKWPTPYHVXKBC-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.37
Rot. Bonds3

About [4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate

[4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 69488055) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID69488055
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name[4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOCC1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c1-15-6-7-2-4-13(5-3-7)16-8(14)9(10,11)12/h7H,2-6H2,1H3
InChIKeyDIKWPTPYHVXKBC-UHFFFAOYSA-N
XLogP1.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
CID 18071331
(1-Methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate
CID 59648834
[4-(Difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68758254
[4-Methoxy-4-(2-methylpropyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68983025
(4-Methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 69043204
[4-(Methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
CID 69487812
[4-(1-Methoxybutoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69678323
[4-(5-Methoxypentoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69679516
Methyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 69704932
[4-(Trifluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 85842500
(4-Methyl-1-oxidopiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 87894400
Ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 135152147

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate (CID 69488055) is [4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate is COCC1CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is DIKWPTPYHVXKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-15-6-7-2-4-13(5-3-7)16-8(14)9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of [4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 241.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 69488055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).