2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride

C20H26ClNO2 — CID 90679126

IUPAC2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride
SMILESCN1CCC(OCC(O)(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-21-14-12-19(13-15-21)23-16-20(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-11,19,22H,12-16H2,1H3;1H
InChIKeyOTSZLIJAGGCPSH-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.46
Rot. Bonds5

About 2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride

2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride (PubChem CID 90679126) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride
PubChem CID90679126
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride
SMILESCN1CCC(OCC(O)(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-21-14-12-19(13-15-21)23-16-20(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-11,19,22H,12-16H2,1H3;1H
InChIKeyOTSZLIJAGGCPSH-UHFFFAOYSA-N
XLogP3.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride (CID 90679126) is 2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride is CN1CCC(OCC(O)(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride?
The InChIKey is OTSZLIJAGGCPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-21-14-12-19(13-15-21)23-16-20(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-11,19,22H,12-16H2,1H3;1H.
What are the key properties of 2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride?
2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxy-1,1-diphenylethanol;hydrochloride is sourced from PubChem (CID 90679126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).