1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol

C24H33NO2 — CID 3102578

IUPAC1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESCC(C)COc1ccc(C(O)C(CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2/c1-19(2)18-27-22-13-11-21(12-14-22)24(26)23(20-9-5-3-6-10-20)17-25-15-7-4-8-16-25/h3,5-6,9-14,19,23-24,26H,4,7-8,15-18H2,1-2H3
InChIKeyZWVOOYMMRUJKIY-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.02
Rot. Bonds8

About 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol

1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 3102578) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol
PubChem CID3102578
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESCC(C)COc1ccc(C(O)C(CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2/c1-19(2)18-27-22-13-11-21(12-14-22)24(26)23(20-9-5-3-6-10-20)17-25-15-7-4-8-16-25/h3,5-6,9-14,19,23-24,26H,4,7-8,15-18H2,1-2H3
InChIKeyZWVOOYMMRUJKIY-UHFFFAOYSA-N
XLogP5.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol (CID 3102578) is 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol is CC(C)COc1ccc(C(O)C(CN2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is ZWVOOYMMRUJKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-19(2)18-27-22-13-11-21(12-14-22)24(26)23(20-9-5-3-6-10-20)17-25-15-7-4-8-16-25/h3,5-6,9-14,19,23-24,26H,4,7-8,15-18H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol?
1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 367.53 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropoxy)phenyl]-2-phenyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 3102578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).