1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride

C17H30Cl2N2O2 — CID 18593255

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCC(C)(C)OCC(O)CN1CCN(c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-17(2,3)21-14-16(20)13-18-9-11-19(12-10-18)15-7-5-4-6-8-15;;/h4-8,16,20H,9-14H2,1-3H3;2*1H
InChIKeyOQRBJLISABDELE-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.83
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride

1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride (PubChem CID 18593255) has the molecular formula C17H30Cl2N2O2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
PubChem CID18593255
Molecular FormulaC17H30Cl2N2O2
Molecular Weight365.35 g/mol
Exact Mass364.17
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCC(C)(C)OCC(O)CN1CCN(c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-17(2,3)21-14-16(20)13-18-9-11-19(12-10-18)15-7-5-4-6-8-15;;/h4-8,16,20H,9-14H2,1-3H3;2*1H
InChIKeyOQRBJLISABDELE-UHFFFAOYSA-N
XLogP2.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride 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-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride (CID 18593255) is 1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride is CC(C)(C)OCC(O)CN1CCN(c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The InChIKey is OQRBJLISABDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.2ClH/c1-17(2,3)21-14-16(20)13-18-9-11-19(12-10-18)15-7-5-4-6-8-15;;/h4-8,16,20H,9-14H2,1-3H3;2*1H.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride?
1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 18593255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).