1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride

C23H32ClNO2 — CID 126477233

IUPAC1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCCOc1ccc(C(O)(CCN2CCCCC2)c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-3-26-22-13-11-21(12-14-22)23(25,20-9-7-19(2)8-10-20)15-18-24-16-5-4-6-17-24;/h7-14,25H,3-6,15-18H2,1-2H3;1H
InChIKeyMFYVZAHTKYZADI-UHFFFAOYSA-N
MW389.97 g/mol
LogP4.93
Rot. Bonds7

About 1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride

1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 126477233) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride
PubChem CID126477233
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC Name1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCCOc1ccc(C(O)(CCN2CCCCC2)c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-3-26-22-13-11-21(12-14-22)23(25,20-9-7-19(2)8-10-20)15-18-24-16-5-4-6-17-24;/h7-14,25H,3-6,15-18H2,1-2H3;1H
InChIKeyMFYVZAHTKYZADI-UHFFFAOYSA-N
XLogP4.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of 1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride (CID 126477233) is 1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride is CCOc1ccc(C(O)(CCN2CCCCC2)c2ccc(C)cc2)cc1.Cl.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is MFYVZAHTKYZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c1-3-26-22-13-11-21(12-14-22)23(25,20-9-7-19(2)8-10-20)15-18-24-16-5-4-6-17-24;/h7-14,25H,3-6,15-18H2,1-2H3;1H.
What are the key properties of 1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride?
1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 126477233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).