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

C20H27ClFNO2 — CID 45262157

IUPAC1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride
SMILESCl.O.OC(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24FNO.ClH.H2O/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17;;/h1-9,18,20,23H,10-15H2;1H;1H2
InChIKeyQAPGNWANKGZGCH-UHFFFAOYSA-N
MW367.89 g/mol
LogP3.24
Rot. Bonds5

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

1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride (PubChem CID 45262157) has the molecular formula C20H27ClFNO2 and a molecular weight of 367.89 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride
PubChem CID45262157
Molecular FormulaC20H27ClFNO2
Molecular Weight367.89 g/mol
Exact Mass367.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride
SMILESCl.O.OC(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24FNO.ClH.H2O/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17;;/h1-9,18,20,23H,10-15H2;1H;1H2
InChIKeyQAPGNWANKGZGCH-UHFFFAOYSA-N
XLogP3.24
TPSA54.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.89
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride (CID 45262157) is 1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride is Cl.O.OC(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride?
The InChIKey is QAPGNWANKGZGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO.ClH.H2O/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17;;/h1-9,18,20,23H,10-15H2;1H;1H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride?
1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride has a molecular weight of 367.89 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride is sourced from PubChem (CID 45262157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).