2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol

C19H32N2O — CID 177108416

IUPAC2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
SMILESCC(C)c1ccccc1C1CN(CCO)CCN1C(C)(C)C
InChIInChI=1S/C19H32N2O/c1-15(2)16-8-6-7-9-17(16)18-14-20(12-13-22)10-11-21(18)19(3,4)5/h6-9,15,18,22H,10-14H2,1-5H3
InChIKeyOLUNNMYRFGQRGE-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.26
Rot. Bonds4

About 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol

2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol (PubChem CID 177108416) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
PubChem CID177108416
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
SMILESCC(C)c1ccccc1C1CN(CCO)CCN1C(C)(C)C
InChIInChI=1S/C19H32N2O/c1-15(2)16-8-6-7-9-17(16)18-14-20(12-13-22)10-11-21(18)19(3,4)5/h6-9,15,18,22H,10-14H2,1-5H3
InChIKeyOLUNNMYRFGQRGE-UHFFFAOYSA-N
XLogP3.26
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol (CID 177108416) is 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol is CC(C)c1ccccc1C1CN(CCO)CCN1C(C)(C)C.
What is the InChIKey of 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol?
The InChIKey is OLUNNMYRFGQRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-15(2)16-8-6-7-9-17(16)18-14-20(12-13-22)10-11-21(18)19(3,4)5/h6-9,15,18,22H,10-14H2,1-5H3.
What are the key properties of 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol?
2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol has a molecular weight of 304.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 177108416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).