1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride

C11H25ClN2O — CID 120840258

IUPAC1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride
SMILESCOCC(C)(C)CN1CCNC(C)C1.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-10-7-13(6-5-12-10)8-11(2,3)9-14-4;/h10,12H,5-9H2,1-4H3;1H
InChIKeyBSIAZIGPOXDCRE-UHFFFAOYSA-N
MW236.79 g/mol
LogP1.37
Rot. Bonds4

About 1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride

1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride (PubChem CID 120840258) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride
PubChem CID120840258
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC Name1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride
SMILESCOCC(C)(C)CN1CCNC(C)C1.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-10-7-13(6-5-12-10)8-11(2,3)9-14-4;/h10,12H,5-9H2,1-4H3;1H
InChIKeyBSIAZIGPOXDCRE-UHFFFAOYSA-N
XLogP1.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride (CID 120840258) is 1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride is COCC(C)(C)CN1CCNC(C)C1.Cl.
What is the InChIKey of 1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride?
The InChIKey is BSIAZIGPOXDCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-10-7-13(6-5-12-10)8-11(2,3)9-14-4;/h10,12H,5-9H2,1-4H3;1H.
What are the key properties of 1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride?
1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 120840258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).