1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid

C11H21F3N2O3 — CID 146455412

IUPAC1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CCN(CCOC)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2O.C2HF3O2/c1-10-9-3-5-11(6-4-9)7-8-12-2;3-2(4,5)1(6)7/h9-10H,3-8H2,1-2H3;(H,6,7)
InChIKeyXACROCWHXHTSFH-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.95
Rot. Bonds4

About 1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid

1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 146455412) has the molecular formula C11H21F3N2O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID146455412
Molecular FormulaC11H21F3N2O3
Molecular Weight286.29 g/mol
Exact Mass286.15
IUPAC Name1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CCN(CCOC)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2O.C2HF3O2/c1-10-9-3-5-11(6-4-9)7-8-12-2;3-2(4,5)1(6)7/h9-10H,3-8H2,1-2H3;(H,6,7)
InChIKeyXACROCWHXHTSFH-UHFFFAOYSA-N
XLogP0.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Oxetan-3-yl)piperidin-4-amine bis(trifluoroacetate)
CID 139022807
Ethyl 2-(4-aminopiperidin-1-yl)acetate; trifluoroacetic acid
CID 146049431
methyl 2-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 164633061
1-morpholino-2-(S)-amino-4-methylpentane trifluoroacetate salt
CID 18649578
N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
4-Methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid
CID 19107608
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
1-Piperidin-4-yl-azetidin-3-ol trifluoroacetate
CID 66870380
(2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid
CID 67088459
3-Morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 68771782
1-Propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 69289347
[(2S)-1-heptylpiperazin-2-yl]methyl 2,2,2-trifluoroacetate
CID 69797551

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid (CID 146455412) is 1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid is CNC1CCN(CCOC)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is XACROCWHXHTSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C2HF3O2/c1-10-9-3-5-11(6-4-9)7-8-12-2;3-2(4,5)1(6)7/h9-10H,3-8H2,1-2H3;(H,6,7).
What are the key properties of 1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 286.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146455412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).