3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine

C11H21F3N2O — CID 107390861

IUPAC3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine
SMILESCOC1(C)CCCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-10(17-2)4-3-5-16(8-10)7-9(6-15)11(12,13)14/h9H,3-8,15H2,1-2H3
InChIKeyYPVJALVFIOXPNM-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds4

About 3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine

3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine (PubChem CID 107390861) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine
PubChem CID107390861
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine
SMILESCOC1(C)CCCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-10(17-2)4-3-5-16(8-10)7-9(6-15)11(12,13)14/h9H,3-8,15H2,1-2H3
InChIKeyYPVJALVFIOXPNM-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

3-(Difluoromethyl)-3-methoxypiperidine hydrochloride
CID 167725268
3-Methoxy-3-(trifluoromethyl)piperidine
CID 54595515
3-Methoxy-3-(trifluoromethyl)piperidine hydrochloride
CID 75467774
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
CID 169133997
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine
CID 54961603
2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine
CID 55218538
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-3-yl]methanamine
CID 61490444
N-[(1-methylpiperidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61800375
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 62568227
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 62568925
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]ethanamine
CID 62581320
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581691

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine (CID 107390861) is 3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine is COC1(C)CCCN(CC(CN)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine?
The InChIKey is YPVJALVFIOXPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-10(17-2)4-3-5-16(8-10)7-9(6-15)11(12,13)14/h9H,3-8,15H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 107390861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).