2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol

C14H30N2O2 — CID 138648065

IUPAC2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
SMILESCC(C)(C)CCOCCN1CCN(CCO)CC1
InChIInChI=1S/C14H30N2O2/c1-14(2,3)4-12-18-13-10-16-7-5-15(6-8-16)9-11-17/h17H,4-13H2,1-3H3
InChIKeyYHASAHORWZDLSX-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.05
Rot. Bonds7

About 2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol

2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol (PubChem CID 138648065) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
PubChem CID138648065
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
SMILESCC(C)(C)CCOCCN1CCN(CCO)CC1
InChIInChI=1S/C14H30N2O2/c1-14(2,3)4-12-18-13-10-16-7-5-15(6-8-16)9-11-17/h17H,4-13H2,1-3H3
InChIKeyYHASAHORWZDLSX-UHFFFAOYSA-N
XLogP1.05
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine
CID 139545699
1-[2-(3,3-dimethylbutoxy)ethyl]-4-methylsulfanylpiperazine
CID 146617007
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol
CID 142367989
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698
2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
CID 138647980
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
CID 126718821
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol
CID 142367353
2,2-difluoro-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butoxy]propan-1-ol
CID 142385812

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol (CID 138648065) is 2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol is CC(C)(C)CCOCCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol?
The InChIKey is YHASAHORWZDLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-14(2,3)4-12-18-13-10-16-7-5-15(6-8-16)9-11-17/h17H,4-13H2,1-3H3.
What are the key properties of 2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol?
2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol has a molecular weight of 258.41 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 138648065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).