2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol

C15H24N2O — CID 70659457

IUPAC2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol
SMILESCCC1CNCCN1c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C15H24N2O/c1-4-13-11-16-9-10-17(13)14-7-5-12(6-8-14)15(2,3)18/h5-8,13,16,18H,4,9-11H2,1-3H3
InChIKeyKKRYRJAFSYRXMK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.10
Rot. Bonds3

About 2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol

2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol (PubChem CID 70659457) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol
PubChem CID70659457
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol
SMILESCCC1CNCCN1c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C15H24N2O/c1-4-13-11-16-9-10-17(13)14-7-5-12(6-8-14)15(2,3)18/h5-8,13,16,18H,4,9-11H2,1-3H3
InChIKeyKKRYRJAFSYRXMK-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol (CID 70659457) is 2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol is CCC1CNCCN1c1ccc(C(C)(C)O)cc1.
What is the InChIKey of 2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol?
The InChIKey is KKRYRJAFSYRXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13-11-16-9-10-17(13)14-7-5-12(6-8-14)15(2,3)18/h5-8,13,16,18H,4,9-11H2,1-3H3.
What are the key properties of 2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol?
2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol is sourced from PubChem (CID 70659457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).