3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine

C11H21F3N2O — CID 106586140

IUPAC3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine
SMILESCOCC1CCCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-17-8-9-3-2-4-16(6-9)7-10(5-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyDWLANMINOCDYFO-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.48
Rot. Bonds5

About 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine

3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine (PubChem CID 106586140) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine
PubChem CID106586140
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine
SMILESCOCC1CCCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-17-8-9-3-2-4-16(6-9)7-10(5-15)11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyDWLANMINOCDYFO-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-(Methoxymethyl)piperidin-1-yl)ethan-1-amine
CID 66564433
3-[(Difluoromethoxy)methyl]piperidine
CID 58495767
3-[(Trifluoromethoxy)methyl]piperidine hydrochloride
CID 122652188
(3R)-3-(difluoromethoxymethyl)piperidine
CID 99224777
4,4-Difluoro-3-(methoxymethyl)piperidine
CID 105432609
3-[(Trifluoromethoxy)methyl]piperidine
CID 118163460
1-Methyl-3-(trifluoromethoxymethyl)piperidine
CID 122664383
3-[(Cyclopropylmethoxy)methyl]-4,4-difluoropiperidine
CID 124051189
3-(Difluoromethoxymethyl)-1-ethylpiperidine
CID 130226795
3-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)piperidine
CID 137419206
1-Methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 154187285
1-Piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 156735113

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine (CID 106586140) is 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine is COCC1CCCN(CC(CN)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine?
The InChIKey is DWLANMINOCDYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-17-8-9-3-2-4-16(6-9)7-10(5-15)11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine?
3,3,3-trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.48, 5 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-(methoxymethyl)piperidin-1-yl]methyl]propan-1-amine is sourced from PubChem (CID 106586140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).