2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol

C17H28N2O — CID 83978628

IUPAC2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
SMILESCC1CN(C(CO)c2ccc(C(C)(C)C)cc2)CCN1
InChIInChI=1S/C17H28N2O/c1-13-11-19(10-9-18-13)16(12-20)14-5-7-15(8-6-14)17(2,3)4/h5-8,13,16,18,20H,9-12H2,1-4H3
InChIKeySDYKONCXAVOPHF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.31
Rot. Bonds3

About 2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol

2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol (PubChem CID 83978628) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
PubChem CID83978628
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
SMILESCC1CN(C(CO)c2ccc(C(C)(C)C)cc2)CCN1
InChIInChI=1S/C17H28N2O/c1-13-11-19(10-9-18-13)16(12-20)14-5-7-15(8-6-14)17(2,3)4/h5-8,13,16,18,20H,9-12H2,1-4H3
InChIKeySDYKONCXAVOPHF-UHFFFAOYSA-N
XLogP2.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978630
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
CID 82086606
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979559
2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979284
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
2-(4-butoxy-3-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979609
4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
CID 83977901
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-methylpiperazine;ethane
CID 176717104
1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 83978195
2-(3,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 112539245

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol (CID 83978628) is 2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol is CC1CN(C(CO)c2ccc(C(C)(C)C)cc2)CCN1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
The InChIKey is SDYKONCXAVOPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-11-19(10-9-18-13)16(12-20)14-5-7-15(8-6-14)17(2,3)4/h5-8,13,16,18,20H,9-12H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol?
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 83978628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).