1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride

C17H36ClNO2 — CID 16958214

IUPAC1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCCC(C)(C)OCC(O)CN1C(C)(C)CCCC1(C)C.Cl
InChIInChI=1S/C17H35NO2.ClH/c1-8-17(6,7)20-13-14(19)12-18-15(2,3)10-9-11-16(18,4)5;/h14,19H,8-13H2,1-7H3;1H
InChIKeyIYTWXYCNKIFPNN-UHFFFAOYSA-N
MW321.93 g/mol
LogP4.02
Rot. Bonds6

About 1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 16958214) has the molecular formula C17H36ClNO2 and a molecular weight of 321.93 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID16958214
Molecular FormulaC17H36ClNO2
Molecular Weight321.93 g/mol
Exact Mass321.24
IUPAC Name1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCCC(C)(C)OCC(O)CN1C(C)(C)CCCC1(C)C.Cl
InChIInChI=1S/C17H35NO2.ClH/c1-8-17(6,7)20-13-14(19)12-18-15(2,3)10-9-11-16(18,4)5;/h14,19H,8-13H2,1-7H3;1H
InChIKeyIYTWXYCNKIFPNN-UHFFFAOYSA-N
XLogP4.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 16958214) is 1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride is CCC(C)(C)OCC(O)CN1C(C)(C)CCCC1(C)C.Cl.
What is the InChIKey of 1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is IYTWXYCNKIFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2.ClH/c1-8-17(6,7)20-13-14(19)12-18-15(2,3)10-9-11-16(18,4)5;/h14,19H,8-13H2,1-7H3;1H.
What are the key properties of 1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 321.93 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 16958214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).