1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride

C14H30ClNO2 — CID 18593245

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
SMILESCC1CC(C)CN(CC(O)COC(C)(C)C)C1.Cl
InChIInChI=1S/C14H29NO2.ClH/c1-11-6-12(2)8-15(7-11)9-13(16)10-17-14(3,4)5;/h11-13,16H,6-10H2,1-5H3;1H
InChIKeyIQOTXRKSXXWXII-UHFFFAOYSA-N
MW279.85 g/mol
LogP2.56
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride

1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride (PubChem CID 18593245) has the molecular formula C14H30ClNO2 and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
PubChem CID18593245
Molecular FormulaC14H30ClNO2
Molecular Weight279.85 g/mol
Exact Mass279.20
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
SMILESCC1CC(C)CN(CC(O)COC(C)(C)C)C1.Cl
InChIInChI=1S/C14H29NO2.ClH/c1-11-6-12(2)8-15(7-11)9-13(16)10-17-14(3,4)5;/h11-13,16H,6-10H2,1-5H3;1H
InChIKeyIQOTXRKSXXWXII-UHFFFAOYSA-N
XLogP2.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride (CID 18593245) is 1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride is CC1CC(C)CN(CC(O)COC(C)(C)C)C1.Cl.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The InChIKey is IQOTXRKSXXWXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.ClH/c1-11-6-12(2)8-15(7-11)9-13(16)10-17-14(3,4)5;/h11-13,16H,6-10H2,1-5H3;1H.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride has a molecular weight of 279.85 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 18593245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).