2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol

C22H30N2O2 — CID 15895837

IUPAC2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol
SMILESCOc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1O
InChIInChI=1S/C22H30N2O2/c1-26-22-18-20(9-10-21(22)25)11-13-24-16-14-23(15-17-24)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,18,25H,5,8,11-17H2,1H3
InChIKeyGHZHQJSBFQYDPH-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.19
Rot. Bonds8

About 2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol

2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol (PubChem CID 15895837) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol
PubChem CID15895837
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol
SMILESCOc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1O
InChIInChI=1S/C22H30N2O2/c1-26-22-18-20(9-10-21(22)25)11-13-24-16-14-23(15-17-24)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,18,25H,5,8,11-17H2,1H3
InChIKeyGHZHQJSBFQYDPH-UHFFFAOYSA-N
XLogP3.19
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol 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-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol (CID 15895837) is 2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol is COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol?
The InChIKey is GHZHQJSBFQYDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-26-22-18-20(9-10-21(22)25)11-13-24-16-14-23(15-17-24)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,18,25H,5,8,11-17H2,1H3.
What are the key properties of 2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol?
2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol has a molecular weight of 354.49 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]phenol is sourced from PubChem (CID 15895837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).