4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol

C14H22N2O — CID 114087069

IUPAC4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol
SMILESCC1CN(C)CCN1C(C)c1ccc(O)cc1
InChIInChI=1S/C14H22N2O/c1-11-10-15(3)8-9-16(11)12(2)13-4-6-14(17)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyWIZUDXFWRUETIM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.09
Rot. Bonds2

About 4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol

4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol (PubChem CID 114087069) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol
PubChem CID114087069
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol
SMILESCC1CN(C)CCN1C(C)c1ccc(O)cc1
InChIInChI=1S/C14H22N2O/c1-11-10-15(3)8-9-16(11)12(2)13-4-6-14(17)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyWIZUDXFWRUETIM-UHFFFAOYSA-N
XLogP2.09
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol?
The IUPAC name of 4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol (CID 114087069) is 4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol?
The canonical SMILES for 4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol is CC1CN(C)CCN1C(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol?
The InChIKey is WIZUDXFWRUETIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-10-15(3)8-9-16(11)12(2)13-4-6-14(17)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of 4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol?
4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dimethylpiperazin-1-yl)ethyl]phenol is sourced from PubChem (CID 114087069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).