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

C20H26ClNO — CID 54609205

IUPAC2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride
SMILESCN1CCC(CC(O)(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H25NO.ClH/c1-21-14-12-17(13-15-21)16-20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,22H,12-16H2,1H3;1H
InChIKeyVWQRVXWCELRRMF-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.08
Rot. Bonds4

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

2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride (PubChem CID 54609205) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride
PubChem CID54609205
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC Name2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride
SMILESCN1CCC(CC(O)(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H25NO.ClH/c1-21-14-12-17(13-15-21)16-20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,22H,12-16H2,1H3;1H
InChIKeyVWQRVXWCELRRMF-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride (CID 54609205) is 2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride is CN1CCC(CC(O)(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride?
The InChIKey is VWQRVXWCELRRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.ClH/c1-21-14-12-17(13-15-21)16-20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,22H,12-16H2,1H3;1H.
What are the key properties of 2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride?
2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride is sourced from PubChem (CID 54609205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).