3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine

C10H19F3N2O — CID 103226820

IUPAC3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESCOCC(CN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-7-9(5-14)15-4-2-3-8(6-15)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyAOWNVACPLQBSBC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.23
Rot. Bonds4

About 3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine

3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (PubChem CID 103226820) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
PubChem CID103226820
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESCOCC(CN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-16-7-9(5-14)15-4-2-3-8(6-15)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyAOWNVACPLQBSBC-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (CID 103226820) is 3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is COCC(CN)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is AOWNVACPLQBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-7-9(5-14)15-4-2-3-8(6-15)10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 103226820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).