2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol

C11H25N3O2 — CID 67147973

IUPAC2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol
SMILESCCN(CCO)C(CO)N1CCN(C)CC1
InChIInChI=1S/C11H25N3O2/c1-3-13(8-9-15)11(10-16)14-6-4-12(2)5-7-14/h11,15-16H,3-10H2,1-2H3
InChIKeyRCZWDKNIQZSLKN-UHFFFAOYSA-N
MW231.34 g/mol
LogP-1.13
Rot. Bonds6

About 2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol

2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol (PubChem CID 67147973) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol
PubChem CID67147973
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol
SMILESCCN(CCO)C(CO)N1CCN(C)CC1
InChIInChI=1S/C11H25N3O2/c1-3-13(8-9-15)11(10-16)14-6-4-12(2)5-7-14/h11,15-16H,3-10H2,1-2H3
InChIKeyRCZWDKNIQZSLKN-UHFFFAOYSA-N
XLogP-1.13
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol (CID 67147973) is 2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol is CCN(CCO)C(CO)N1CCN(C)CC1.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is RCZWDKNIQZSLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-13(8-9-15)11(10-16)14-6-4-12(2)5-7-14/h11,15-16H,3-10H2,1-2H3.
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol?
2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 231.34 g/mol, XLogP of -1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 67147973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).