2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol

C18H30N2O — CID 79037151

IUPAC2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(O)CN2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C18H30N2O/c1-14-10-15(2)12-16(11-14)17(21)13-19-6-8-20(9-7-19)18(3,4)5/h10-12,17,21H,6-9,13H2,1-5H3
InChIKeyPIMZQCYMSBFWGL-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.75
Rot. Bonds3

About 2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol

2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol (PubChem CID 79037151) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol
PubChem CID79037151
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(C(O)CN2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C18H30N2O/c1-14-10-15(2)12-16(11-14)17(21)13-19-6-8-20(9-7-19)18(3,4)5/h10-12,17,21H,6-9,13H2,1-5H3
InChIKeyPIMZQCYMSBFWGL-UHFFFAOYSA-N
XLogP2.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(3,5-dimethylphenyl)ethanol
CID 111487620
2-(azepan-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79040152
1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 111476069
1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol
CID 79037737
1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 111476430
1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 79037989
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol
CID 103936749
2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
CID 138743279
(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
1-(3,5-dimethylphenyl)-2-[4-(oxan-4-yloxy)piperidin-1-yl]ethanol
CID 111476827
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95336027

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol (CID 79037151) is 2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc(C(O)CN2CCN(C(C)(C)C)CC2)c1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol?
The InChIKey is PIMZQCYMSBFWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-10-15(2)12-16(11-14)17(21)13-19-6-8-20(9-7-19)18(3,4)5/h10-12,17,21H,6-9,13H2,1-5H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol?
2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 79037151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).