4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol

C21H28N2O3 — CID 70254082

IUPAC4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol
SMILESCCc1ccc(N2CCN(C[C@H](O)COc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C21H28N2O3/c1-2-17-3-5-18(6-4-17)23-13-11-22(12-14-23)15-20(25)16-26-21-9-7-19(24)8-10-21/h3-10,20,24-25H,2,11-16H2,1H3/t20-/m0/s1
InChIKeyNRQZSQFLVMSSHV-FQEVSTJZSA-N
MW356.47 g/mol
LogP2.52
Rot. Bonds7

About 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol

4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol (PubChem CID 70254082) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol.

Molecular Properties

Compound Name4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol
PubChem CID70254082
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol
SMILESCCc1ccc(N2CCN(C[C@H](O)COc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C21H28N2O3/c1-2-17-3-5-18(6-4-17)23-13-11-22(12-14-23)15-20(25)16-26-21-9-7-19(24)8-10-21/h3-10,20,24-25H,2,11-16H2,1H3/t20-/m0/s1
InChIKeyNRQZSQFLVMSSHV-FQEVSTJZSA-N
XLogP2.52
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
CID 29404351
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805
[4-[2-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propoxy]phenyl]urea
CID 67249537
1-(4-ethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53351867
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
1-(4-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770619
1-(4-ethylphenoxy)-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol
CID 110891465
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 3809225

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol?
The IUPAC name of 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol (CID 70254082) is 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol.
What is the SMILES notation for 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol?
The canonical SMILES for 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol is CCc1ccc(N2CCN(C[C@H](O)COc3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol?
The InChIKey is NRQZSQFLVMSSHV-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-17-3-5-18(6-4-17)23-13-11-22(12-14-23)15-20(25)16-26-21-9-7-19(24)8-10-21/h3-10,20,24-25H,2,11-16H2,1H3/t20-/m0/s1.
What are the key properties of 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol?
4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol has a molecular weight of 356.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol is sourced from PubChem (CID 70254082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).