3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

C11H21F3N2O — CID 63900199

IUPAC3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)CC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-15(2)7-9-3-5-16(6-4-9)8-10(17)11(12,13)14/h9-10,17H,3-8H2,1-2H3
InChIKeyPXGRLEPVTJYTJK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.18
Rot. Bonds4

About 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900199) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID63900199
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCN(C)CC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-15(2)7-9-3-5-16(6-4-9)8-10(17)11(12,13)14/h9-10,17H,3-8H2,1-2H3
InChIKeyPXGRLEPVTJYTJK-UHFFFAOYSA-N
XLogP1.18
TPSA26.71 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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 63900199) is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is CN(C)CC1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is PXGRLEPVTJYTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-15(2)7-9-3-5-16(6-4-9)8-10(17)11(12,13)14/h9-10,17H,3-8H2,1-2H3.
What are the key properties of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).