1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride

C13H28ClNO2 — CID 18593246

IUPAC1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC(C)(C)C)CC1.Cl
InChIInChI=1S/C13H27NO2.ClH/c1-11-5-7-14(8-6-11)9-12(15)10-16-13(2,3)4;/h11-12,15H,5-10H2,1-4H3;1H
InChIKeyHRTYQYYQAWNCPW-UHFFFAOYSA-N
MW265.82 g/mol
LogP2.32
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride

1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride (PubChem CID 18593246) has the molecular formula C13H28ClNO2 and a molecular weight of 265.82 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
PubChem CID18593246
Molecular FormulaC13H28ClNO2
Molecular Weight265.82 g/mol
Exact Mass265.18
IUPAC Name1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC(C)(C)C)CC1.Cl
InChIInChI=1S/C13H27NO2.ClH/c1-11-5-7-14(8-6-11)9-12(15)10-16-13(2,3)4;/h11-12,15H,5-10H2,1-4H3;1H
InChIKeyHRTYQYYQAWNCPW-UHFFFAOYSA-N
XLogP2.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.82
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride (CID 18593246) is 1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride is CC1CCN(CC(O)COC(C)(C)C)CC1.Cl.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The InChIKey is HRTYQYYQAWNCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.ClH/c1-11-5-7-14(8-6-11)9-12(15)10-16-13(2,3)4;/h11-12,15H,5-10H2,1-4H3;1H.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride has a molecular weight of 265.82 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 18593246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).