2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol

C24H34N2O3 — CID 16746464

IUPAC2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(C(CCN2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C24H34N2O3/c1-25(2)19-10-8-18(9-11-19)21(12-15-26-13-6-5-7-14-26)24-22(27)16-20(28-3)17-23(24)29-4/h8-11,16-17,21,27H,5-7,12-15H2,1-4H3
InChIKeyDWSRMWUPMULWMS-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.48
Rot. Bonds8

About 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol

2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol (PubChem CID 16746464) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol
PubChem CID16746464
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(C(CCN2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C24H34N2O3/c1-25(2)19-10-8-18(9-11-19)21(12-15-26-13-6-5-7-14-26)24-22(27)16-20(28-3)17-23(24)29-4/h8-11,16-17,21,27H,5-7,12-15H2,1-4H3
InChIKeyDWSRMWUPMULWMS-UHFFFAOYSA-N
XLogP4.48
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol 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 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol?
The IUPAC name of 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol (CID 16746464) is 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol?
The canonical SMILES for 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol is COc1cc(O)c(C(CCN2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1.
What is the InChIKey of 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol?
The InChIKey is DWSRMWUPMULWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-25(2)19-10-8-18(9-11-19)21(12-15-26-13-6-5-7-14-26)24-22(27)16-20(28-3)17-23(24)29-4/h8-11,16-17,21,27H,5-7,12-15H2,1-4H3.
What are the key properties of 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol?
2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol has a molecular weight of 398.55 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 16746464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).