ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride

C12H26Cl2N2O2 — CID 134088083

IUPACethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride
SMILESCCCCN1CCN(CC(=O)OCC)CC1.Cl.Cl
InChIInChI=1S/C12H24N2O2.2ClH/c1-3-5-6-13-7-9-14(10-8-13)11-12(15)16-4-2;;/h3-11H2,1-2H3;2*1H
InChIKeyFTGMIWJYJJNDQW-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.81
Rot. Bonds6

About ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride

ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride (PubChem CID 134088083) has the molecular formula C12H26Cl2N2O2 and a molecular weight of 301.26 g/mol. Its IUPAC name is ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride
PubChem CID134088083
Molecular FormulaC12H26Cl2N2O2
Molecular Weight301.26 g/mol
Exact Mass300.14
IUPAC Nameethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride
SMILESCCCCN1CCN(CC(=O)OCC)CC1.Cl.Cl
InChIInChI=1S/C12H24N2O2.2ClH/c1-3-5-6-13-7-9-14(10-8-13)11-12(15)16-4-2;;/h3-11H2,1-2H3;2*1H
InChIKeyFTGMIWJYJJNDQW-UHFFFAOYSA-N
XLogP1.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride?
The IUPAC name of ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride (CID 134088083) is ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride.
What is the SMILES notation for ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride?
The canonical SMILES for ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride is CCCCN1CCN(CC(=O)OCC)CC1.Cl.Cl.
What is the InChIKey of ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride?
The InChIKey is FTGMIWJYJJNDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.2ClH/c1-3-5-6-13-7-9-14(10-8-13)11-12(15)16-4-2;;/h3-11H2,1-2H3;2*1H.
What are the key properties of ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride?
ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride has a molecular weight of 301.26 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride is sourced from PubChem (CID 134088083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).