1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

C21H28N2O2 — CID 2882652

IUPAC1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H28N2O2/c1-17-7-6-8-18(2)21(17)25-16-20(24)15-22-11-13-23(14-12-22)19-9-4-3-5-10-19/h3-10,20,24H,11-16H2,1-2H3
InChIKeyCSOMHMHYUVRRBR-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.87
Rot. Bonds6

About 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 2882652) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID2882652
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H28N2O2/c1-17-7-6-8-18(2)21(17)25-16-20(24)15-22-11-13-23(14-12-22)19-9-4-3-5-10-19/h3-10,20,24H,11-16H2,1-2H3
InChIKeyCSOMHMHYUVRRBR-UHFFFAOYSA-N
XLogP2.87
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol 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

1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 4024808
(2R)-1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 878689
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2873605
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656
1-(3,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882985
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2873604
1-(2,6-dimethylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2866483
1-(2,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dichloride
CID 21237602
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 2882652) is 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is Cc1cccc(C)c1OCC(O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is CSOMHMHYUVRRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17-7-6-8-18(2)21(17)25-16-20(24)15-22-11-13-23(14-12-22)19-9-4-3-5-10-19/h3-10,20,24H,11-16H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 340.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 2882652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).