2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H23F3N2O — CID 63977789

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCC1CCN(C(C)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-10(7-16-9-12(13,14)15)17-5-3-11(4-6-17)8-18-2/h10-11,16H,3-9H2,1-2H3
InChIKeyOHNLDHXVZBIDND-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds6

About 2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine

2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 63977789) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID63977789
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCC1CCN(C(C)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-10(7-16-9-12(13,14)15)17-5-3-11(4-6-17)8-18-2/h10-11,16H,3-9H2,1-2H3
InChIKeyOHNLDHXVZBIDND-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 63977789) is 2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine is COCC1CCN(C(C)CNCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is OHNLDHXVZBIDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(7-16-9-12(13,14)15)17-5-3-11(4-6-17)8-18-2/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 63977789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).