1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol

C20H33NO2 — CID 3125349

IUPAC1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol
SMILESCCCOc1ccc(C(O)(CCC)CCN2CCCCC2)cc1
InChIInChI=1S/C20H33NO2/c1-3-12-20(22,13-16-21-14-6-5-7-15-21)18-8-10-19(11-9-18)23-17-4-2/h8-11,22H,3-7,12-17H2,1-2H3
InChIKeySROKXKMTKYUSNU-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.34
Rot. Bonds9

About 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol

1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol (PubChem CID 3125349) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol
PubChem CID3125349
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol
SMILESCCCOc1ccc(C(O)(CCC)CCN2CCCCC2)cc1
InChIInChI=1S/C20H33NO2/c1-3-12-20(22,13-16-21-14-6-5-7-15-21)18-8-10-19(11-9-18)23-17-4-2/h8-11,22H,3-7,12-17H2,1-2H3
InChIKeySROKXKMTKYUSNU-UHFFFAOYSA-N
XLogP4.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol?
The IUPAC name of 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol (CID 3125349) is 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol.
What is the SMILES notation for 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol?
The canonical SMILES for 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol is CCCOc1ccc(C(O)(CCC)CCN2CCCCC2)cc1.
What is the InChIKey of 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol?
The InChIKey is SROKXKMTKYUSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-12-20(22,13-16-21-14-6-5-7-15-21)18-8-10-19(11-9-18)23-17-4-2/h8-11,22H,3-7,12-17H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol?
1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol has a molecular weight of 319.49 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(4-propoxyphenyl)hexan-3-ol is sourced from PubChem (CID 3125349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).