3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine

C12H23F3N2O — CID 62574425

IUPAC3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine
SMILESCOCCCNCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-18-9-3-5-16-6-8-17-7-2-4-11(10-17)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyQMUPCGFGUMFNDA-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds7

About 3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine

3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine (PubChem CID 62574425) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine
PubChem CID62574425
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine
SMILESCOCCCNCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-18-9-3-5-16-6-8-17-7-2-4-11(10-17)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyQMUPCGFGUMFNDA-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine
CID 62574239
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 79936511
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 55089962
3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 63167922
N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 62575106
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
CID 62573860
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089801
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-(2-methoxyethyl)ethanamine
CID 55165795
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 62575679
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine (CID 62574425) is 3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine is COCCCNCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine?
The InChIKey is QMUPCGFGUMFNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-18-9-3-5-16-6-8-17-7-2-4-11(10-17)12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of 3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine?
3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62574425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).