3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol

C15H30F2N2O — CID 134505358

IUPAC3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol
SMILESCN(CC(F)(F)CO)CC1(C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H30F2N2O/c1-13(2,3)19-8-6-14(4,7-9-19)10-18(5)11-15(16,17)12-20/h20H,6-12H2,1-5H3
InChIKeyIOJMOFGKOYOVLC-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.45
Rot. Bonds5

About 3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol

3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol (PubChem CID 134505358) has the molecular formula C15H30F2N2O and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol
PubChem CID134505358
Molecular FormulaC15H30F2N2O
Molecular Weight292.41 g/mol
Exact Mass292.23
IUPAC Name3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol
SMILESCN(CC(F)(F)CO)CC1(C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H30F2N2O/c1-13(2,3)19-8-6-14(4,7-9-19)10-18(5)11-15(16,17)12-20/h20H,6-12H2,1-5H3
InChIKeyIOJMOFGKOYOVLC-UHFFFAOYSA-N
XLogP2.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol (CID 134505358) is 3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol is CN(CC(F)(F)CO)CC1(C)CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is IOJMOFGKOYOVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N2O/c1-13(2,3)19-8-6-14(4,7-9-19)10-18(5)11-15(16,17)12-20/h20H,6-12H2,1-5H3.
What are the key properties of 3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol?
3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 292.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl-methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 134505358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).