[6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine

C11H21F3N2O — CID 54989538

IUPAC[6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1CCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9-2-3-10(6-15)7-16(9)4-5-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyNIGCNWBMXZPCCL-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds5

About [6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine

[6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine (PubChem CID 54989538) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is [6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine
PubChem CID54989538
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name[6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1CCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9-2-3-10(6-15)7-16(9)4-5-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyNIGCNWBMXZPCCL-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
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

4,4-Difluoro-3-(morpholin-4-yl)butan-1-amine
CID 137698858
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
1-[2-(Trifluoromethoxy)ethyl]piperidin-4-amine
CID 65803376
3-Fluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 119054836
2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
CID 138657179
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
CID 169133997
2-[3,3-Difluoro-5-methyl-4-(methylamino)piperidin-1-yl]ethanol;ethane
CID 169135144
1-[1-(Oxolan-3-yl)-4-(trifluoromethyl)piperidin-4-yl]propan-1-amine
CID 170588948
3,3-Difluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 170903503
N-methyl-2-(4-methylpyrrolidin-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 172334745
4,4,4-Trifluoro-3-(3-methylmorpholin-4-yl)butan-1-amine
CID 43753148
3-(2,2-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-1-amine
CID 43753185

Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine?
The IUPAC name of [6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine (CID 54989538) is [6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine is CC1CCC(CN)CN1CCOCC(F)(F)F.
What is the InChIKey of [6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine?
The InChIKey is NIGCNWBMXZPCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9-2-3-10(6-15)7-16(9)4-5-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of [6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine?
[6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 54989538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).