(3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride

C9H20ClNO2 — CID 155820306

IUPAC(3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride
SMILESCC(C)(C)O[C@@H]1CNC[C@H](O)C1.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-9(2,3)12-8-4-7(11)5-10-6-8;/h7-8,10-11H,4-6H2,1-3H3;1H/t7-,8+;/m1./s1
InChIKeyICUGCDZXUNIPSL-WLYNEOFISA-N
MW209.72 g/mol
LogP0.95
Rot. Bonds1

About (3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride

(3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride (PubChem CID 155820306) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is (3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride
PubChem CID155820306
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Name(3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride
SMILESCC(C)(C)O[C@@H]1CNC[C@H](O)C1.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-9(2,3)12-8-4-7(11)5-10-6-8;/h7-8,10-11H,4-6H2,1-3H3;1H/t7-,8+;/m1./s1
InChIKeyICUGCDZXUNIPSL-WLYNEOFISA-N
XLogP0.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride?
The IUPAC name of (3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride (CID 155820306) is (3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride?
The canonical SMILES for (3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride is CC(C)(C)O[C@@H]1CNC[C@H](O)C1.Cl.
What is the InChIKey of (3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride?
The InChIKey is ICUGCDZXUNIPSL-WLYNEOFISA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-9(2,3)12-8-4-7(11)5-10-6-8;/h7-8,10-11H,4-6H2,1-3H3;1H/t7-,8+;/m1./s1.
What are the key properties of (3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride?
(3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride is sourced from PubChem (CID 155820306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).