3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

C10H19F3N2O — CID 63899982

IUPAC3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(N)C1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-7(14)8-3-2-4-15(5-8)6-9(16)10(11,12)13/h7-9,16H,2-6,14H2,1H3
InChIKeyYVOLYDFRMZNMAA-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds3

About 3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899982) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID63899982
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(N)C1CCCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-7(14)8-3-2-4-15(5-8)6-9(16)10(11,12)13/h7-9,16H,2-6,14H2,1H3
InChIKeyYVOLYDFRMZNMAA-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 63899982) is 3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is CC(N)C1CCCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YVOLYDFRMZNMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(14)8-3-2-4-15(5-8)6-9(16)10(11,12)13/h7-9,16H,2-6,14H2,1H3.
What are the key properties of 3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 240.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).