1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride

C24H34ClNO3 — CID 24761187

IUPAC1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride
SMILESCCCOc1ccc(C(O)(CCN2CCCCC2)c2ccccc2OC)cc1.Cl
InChIInChI=1S/C24H33NO3.ClH/c1-3-19-28-21-13-11-20(12-14-21)24(26,15-18-25-16-7-4-8-17-25)22-9-5-6-10-23(22)27-2;/h5-6,9-14,26H,3-4,7-8,15-19H2,1-2H3;1H
InChIKeyGOLFFSXOGAFRAM-UHFFFAOYSA-N
MW419.99 g/mol
LogP5.02
Rot. Bonds9

About 1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride

1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 24761187) has the molecular formula C24H34ClNO3 and a molecular weight of 419.99 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride
PubChem CID24761187
Molecular FormulaC24H34ClNO3
Molecular Weight419.99 g/mol
Exact Mass419.22
IUPAC Name1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride
SMILESCCCOc1ccc(C(O)(CCN2CCCCC2)c2ccccc2OC)cc1.Cl
InChIInChI=1S/C24H33NO3.ClH/c1-3-19-28-21-13-11-20(12-14-21)24(26,15-18-25-16-7-4-8-17-25)22-9-5-6-10-23(22)27-2;/h5-6,9-14,26H,3-4,7-8,15-19H2,1-2H3;1H
InChIKeyGOLFFSXOGAFRAM-UHFFFAOYSA-N
XLogP5.02
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.99
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride (CID 24761187) is 1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride is CCCOc1ccc(C(O)(CCN2CCCCC2)c2ccccc2OC)cc1.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is GOLFFSXOGAFRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3.ClH/c1-3-19-28-21-13-11-20(12-14-21)24(26,15-18-25-16-7-4-8-17-25)22-9-5-6-10-23(22)27-2;/h5-6,9-14,26H,3-4,7-8,15-19H2,1-2H3;1H.
What are the key properties of 1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride?
1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 419.99 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 24761187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).