2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol

C13H29N3O3 — CID 142367989

IUPAC2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol
SMILESCNCCOCCOCCN1CCN(CCO)CC1
InChIInChI=1S/C13H29N3O3/c1-14-2-10-18-12-13-19-11-8-16-5-3-15(4-6-16)7-9-17/h14,17H,2-13H2,1H3
InChIKeyKHSYKTHSIFIWRE-UHFFFAOYSA-N
MW275.39 g/mol
LogP-1.15
Rot. Bonds11

About 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol

2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol (PubChem CID 142367989) has the molecular formula C13H29N3O3 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol
PubChem CID142367989
Molecular FormulaC13H29N3O3
Molecular Weight275.39 g/mol
Exact Mass275.22
IUPAC Name2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol
SMILESCNCCOCCOCCN1CCN(CCO)CC1
InChIInChI=1S/C13H29N3O3/c1-14-2-10-18-12-13-19-11-8-16-5-3-15(4-6-16)7-9-17/h14,17H,2-13H2,1H3
InChIKeyKHSYKTHSIFIWRE-UHFFFAOYSA-N
XLogP-1.15
TPSA57.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine
CID 58701501
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
CID 166151976
2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
CID 138648065
1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde
CID 167464269
2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
CID 138647980
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[4-[4-[2,2-difluoro-3-(methylamino)propoxy]butyl]piperazin-1-yl]ethanol
CID 142386101
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol
CID 134581965
2-[4-[4-[2,2-difluoro-3-(methylamino)propoxy]butyl]piperazin-1-yl]ethanol;ethane
CID 142386100
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpentanamide
CID 170007437

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol (CID 142367989) is 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol is CNCCOCCOCCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol?
The InChIKey is KHSYKTHSIFIWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3/c1-14-2-10-18-12-13-19-11-8-16-5-3-15(4-6-16)7-9-17/h14,17H,2-13H2,1H3.
What are the key properties of 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol?
2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol has a molecular weight of 275.39 g/mol, XLogP of -1.15, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 142367989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).