2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol

C17H28N2O — CID 112539542

IUPAC2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
SMILESCc1ccc(C(CO)N2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)12-18-8-10-19(11-9-18)17(13-20)16-6-4-15(3)5-7-16/h4-7,14,17,20H,8-13H2,1-3H3
InChIKeyCAWWWANXSLACOB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.30
Rot. Bonds5

About 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol

2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol (PubChem CID 112539542) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
PubChem CID112539542
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
SMILESCc1ccc(C(CO)N2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)12-18-8-10-19(11-9-18)17(13-20)16-6-4-15(3)5-7-16/h4-7,14,17,20H,8-13H2,1-3H3
InChIKeyCAWWWANXSLACOB-UHFFFAOYSA-N
XLogP2.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62776010
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol
CID 112540093
2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539561
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62778017
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
CID 116860102
2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethanol
CID 54776099
3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,2-diol
CID 71329061
2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 82086942
4-methylbenzenesulfonic acid;1-(2-methylpropyl)piperidin-4-one
CID 173108914
2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
CID 82086606

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol (CID 112539542) is 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol is Cc1ccc(C(CO)N2CCN(CC(C)C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The InChIKey is CAWWWANXSLACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)12-18-8-10-19(11-9-18)17(13-20)16-6-4-15(3)5-7-16/h4-7,14,17,20H,8-13H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 112539542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).