1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride

C11H22Cl2N2O — CID 66545499

IUPAC1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride
SMILESC#CCCN1CCN(CCOC)CC1.Cl.Cl
InChIInChI=1S/C11H20N2O.2ClH/c1-3-4-5-12-6-8-13(9-7-12)10-11-14-2;;/h1H,4-11H2,2H3;2*1H
InChIKeyUZKAVSQEYLXBGA-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.12
Rot. Bonds5

About 1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride

1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride (PubChem CID 66545499) has the molecular formula C11H22Cl2N2O and a molecular weight of 269.22 g/mol. Its IUPAC name is 1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride
PubChem CID66545499
Molecular FormulaC11H22Cl2N2O
Molecular Weight269.22 g/mol
Exact Mass268.11
IUPAC Name1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride
SMILESC#CCCN1CCN(CCOC)CC1.Cl.Cl
InChIInChI=1S/C11H20N2O.2ClH/c1-3-4-5-12-6-8-13(9-7-12)10-11-14-2;;/h1H,4-11H2,2H3;2*1H
InChIKeyUZKAVSQEYLXBGA-UHFFFAOYSA-N
XLogP1.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile
CID 94254427
1-but-3-ynyl-4-methylpiperazine
CID 11593463
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CID 47014834
1-but-3-ynylazetidine
CID 130164474
[4-(2-methoxyethyl)piperazin-1-yl]methanamine
CID 146312052
2-(4-but-3-ynylpiperazin-1-yl)ethanamine
CID 170918250
1-but-3-ynylpiperazine;hydrochloride
CID 171379591
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
1-(2-methoxyethyl)-4-propyl-1,4-diazepane
CID 157028655
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
1-but-3-ynylpiperazine
CID 24700258
1-(1-but-3-ynylpiperidin-4-yl)ethanone
CID 63846870

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride?
The IUPAC name of 1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride (CID 66545499) is 1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride is C#CCCN1CCN(CCOC)CC1.Cl.Cl.
What is the InChIKey of 1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride?
The InChIKey is UZKAVSQEYLXBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.2ClH/c1-3-4-5-12-6-8-13(9-7-12)10-11-14-2;;/h1H,4-11H2,2H3;2*1H.
What are the key properties of 1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride?
1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride has a molecular weight of 269.22 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-4-(2-methoxyethyl)piperazine;dihydrochloride is sourced from PubChem (CID 66545499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).