1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol

C24H33NO2 — CID 3102584

IUPAC1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESCCCCOc1ccc(C(O)C(CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2/c1-2-3-18-27-22-14-12-21(13-15-22)24(26)23(20-10-6-4-7-11-20)19-25-16-8-5-9-17-25/h4,6-7,10-15,23-24,26H,2-3,5,8-9,16-19H2,1H3
InChIKeyBTBXXZMSOPRQCC-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.17
Rot. Bonds9

About 1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol

1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 3102584) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol
PubChem CID3102584
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESCCCCOc1ccc(C(O)C(CN2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2/c1-2-3-18-27-22-14-12-21(13-15-22)24(26)23(20-10-6-4-7-11-20)19-25-16-8-5-9-17-25/h4,6-7,10-15,23-24,26H,2-3,5,8-9,16-19H2,1H3
InChIKeyBTBXXZMSOPRQCC-UHFFFAOYSA-N
XLogP5.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol (CID 3102584) is 1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol is CCCCOc1ccc(C(O)C(CN2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is BTBXXZMSOPRQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-2-3-18-27-22-14-12-21(13-15-22)24(26)23(20-10-6-4-7-11-20)19-25-16-8-5-9-17-25/h4,6-7,10-15,23-24,26H,2-3,5,8-9,16-19H2,1H3.
What are the key properties of 1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol?
1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 367.53 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 3102584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).