2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride

C20H25ClFNO — CID 10337917

IUPAC2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride
SMILESCl.OC(CC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO.ClH/c21-19-8-6-18(7-9-19)20(23)14-16-10-12-22(13-11-16)15-17-4-2-1-3-5-17;/h1-9,16,20,23H,10-15H2;1H
InChIKeyDAUQYWMLDDHQOT-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.58
Rot. Bonds5

About 2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride

2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride (PubChem CID 10337917) has the molecular formula C20H25ClFNO and a molecular weight of 349.88 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride
PubChem CID10337917
Molecular FormulaC20H25ClFNO
Molecular Weight349.88 g/mol
Exact Mass349.16
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride
SMILESCl.OC(CC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO.ClH/c21-19-8-6-18(7-9-19)20(23)14-16-10-12-22(13-11-16)15-17-4-2-1-3-5-17;/h1-9,16,20,23H,10-15H2;1H
InChIKeyDAUQYWMLDDHQOT-UHFFFAOYSA-N
XLogP4.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride (CID 10337917) is 2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride is Cl.OC(CC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride?
The InChIKey is DAUQYWMLDDHQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO.ClH/c21-19-8-6-18(7-9-19)20(23)14-16-10-12-22(13-11-16)15-17-4-2-1-3-5-17;/h1-9,16,20,23H,10-15H2;1H.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride?
2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 10337917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).