3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine

C11H21F3N2O — CID 114220791

IUPAC3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine
SMILESCOC1CCN(CC(CN)C(F)(F)F)C(C)C1
InChIInChI=1S/C11H21F3N2O/c1-8-5-10(17-2)3-4-16(8)7-9(6-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3
InChIKeyVXZWYFGDDPJBQH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds4

About 3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine

3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine (PubChem CID 114220791) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine
PubChem CID114220791
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine
SMILESCOC1CCN(CC(CN)C(F)(F)F)C(C)C1
InChIInChI=1S/C11H21F3N2O/c1-8-5-10(17-2)3-4-16(8)7-9(6-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3
InChIKeyVXZWYFGDDPJBQH-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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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine (CID 114220791) is 3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine is COC1CCN(CC(CN)C(F)(F)F)C(C)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine?
The InChIKey is VXZWYFGDDPJBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8-5-10(17-2)3-4-16(8)7-9(6-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(4-methoxy-2-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-[(4-methoxy-2-methylpiperidin-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 114220791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).