[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine

C12H23F3N2O2 — CID 112622698

IUPAC[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(CCCOCC(F)(F)F)C(CN)C1
InChIInChI=1S/C12H23F3N2O2/c1-18-11-3-5-17(10(7-11)8-16)4-2-6-19-9-12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyCBFYNTMFMXGEEC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.39
Rot. Bonds7

About [4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine

[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine (PubChem CID 112622698) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is [4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
PubChem CID112622698
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(CCCOCC(F)(F)F)C(CN)C1
InChIInChI=1S/C12H23F3N2O2/c1-18-11-3-5-17(10(7-11)8-16)4-2-6-19-9-12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyCBFYNTMFMXGEEC-UHFFFAOYSA-N
XLogP1.39
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-1-(4,4,4-trifluorobutyl)piperidin-2-yl]methanamine
CID 112622508
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 61490445
[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine
CID 120843786
[1-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963611
[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 82736146
[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843729
1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclohexan-1-ol
CID 112622604
[4-methoxy-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843790
methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate
CID 112622716
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 112622491
[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine
CID 112622527

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine (CID 112622698) is [4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine is COC1CCN(CCCOCC(F)(F)F)C(CN)C1.
What is the InChIKey of [4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The InChIKey is CBFYNTMFMXGEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-18-11-3-5-17(10(7-11)8-16)4-2-6-19-9-12(13,14)15/h10-11H,2-9,16H2,1H3.
What are the key properties of [4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine has a molecular weight of 284.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 112622698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).