4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide

C9H19N3O2 — CID 110459921

IUPAC4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H19N3O2/c1-10(2)9(14)12-5-3-11(4-6-12)7-8-13/h13H,3-8H2,1-2H3
InChIKeyZGKPUQZPJFBZKF-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.72
Rot. Bonds2

About 4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide

4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 110459921) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID110459921
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H19N3O2/c1-10(2)9(14)12-5-3-11(4-6-12)7-8-13/h13H,3-8H2,1-2H3
InChIKeyZGKPUQZPJFBZKF-UHFFFAOYSA-N
XLogP-0.72
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide (CID 110459921) is 4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is ZGKPUQZPJFBZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-10(2)9(14)12-5-3-11(4-6-12)7-8-13/h13H,3-8H2,1-2H3.
What are the key properties of 4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 201.27 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 110459921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).