1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride

C17H30Cl2N2O2 — CID 2882798

IUPAC1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCCN1CCN(CC(O)COc2ccc(C)c(C)c2)CC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-4-18-7-9-19(10-8-18)12-16(20)13-21-17-6-5-14(2)15(3)11-17;;/h5-6,11,16,20H,4,7-10,12-13H2,1-3H3;2*1H
InChIKeyRAZTZOMUFYXQCQ-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.52
Rot. Bonds6

About 1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride

1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride (PubChem CID 2882798) has the molecular formula C17H30Cl2N2O2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
PubChem CID2882798
Molecular FormulaC17H30Cl2N2O2
Molecular Weight365.35 g/mol
Exact Mass364.17
IUPAC Name1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCCN1CCN(CC(O)COc2ccc(C)c(C)c2)CC1.Cl.Cl
InChIInChI=1S/C17H28N2O2.2ClH/c1-4-18-7-9-19(10-8-18)12-16(20)13-21-17-6-5-14(2)15(3)11-17;;/h5-6,11,16,20H,4,7-10,12-13H2,1-3H3;2*1H
InChIKeyRAZTZOMUFYXQCQ-UHFFFAOYSA-N
XLogP2.52
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
ethyl 4-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 885375
1-(3,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882985
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 30630017
1-(4-chloro-3,5-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dichloride
CID 21237900
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
1-(4-aminophenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 43364508
(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 737489
1-(4-chloro-3-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;hydrochloride
CID 2770407
(2R)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7424688

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride (CID 2882798) is 1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride is CCN1CCN(CC(O)COc2ccc(C)c(C)c2)CC1.Cl.Cl.
What is the InChIKey of 1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The InChIKey is RAZTZOMUFYXQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.2ClH/c1-4-18-7-9-19(10-8-18)12-16(20)13-21-17-6-5-14(2)15(3)11-17;;/h5-6,11,16,20H,4,7-10,12-13H2,1-3H3;2*1H.
What are the key properties of 1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride?
1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 2882798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).