4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride

C11H24Cl2N2O — CID 67922843

IUPAC4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride
SMILESCC(CCCl)C(O)N1CCN(C)CC1C.Cl
InChIInChI=1S/C11H23ClN2O.ClH/c1-9(4-5-12)11(15)14-7-6-13(3)8-10(14)2;/h9-11,15H,4-8H2,1-3H3;1H
InChIKeyXGUXNKIMJALMAA-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.63
Rot. Bonds4

About 4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride

4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride (PubChem CID 67922843) has the molecular formula C11H24Cl2N2O and a molecular weight of 271.23 g/mol. Its IUPAC name is 4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride
PubChem CID67922843
Molecular FormulaC11H24Cl2N2O
Molecular Weight271.23 g/mol
Exact Mass270.13
IUPAC Name4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride
SMILESCC(CCCl)C(O)N1CCN(C)CC1C.Cl
InChIInChI=1S/C11H23ClN2O.ClH/c1-9(4-5-12)11(15)14-7-6-13(3)8-10(14)2;/h9-11,15H,4-8H2,1-3H3;1H
InChIKeyXGUXNKIMJALMAA-UHFFFAOYSA-N
XLogP1.63
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride?
The IUPAC name of 4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride (CID 67922843) is 4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride.
What is the SMILES notation for 4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride?
The canonical SMILES for 4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride is CC(CCCl)C(O)N1CCN(C)CC1C.Cl.
What is the InChIKey of 4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride?
The InChIKey is XGUXNKIMJALMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O.ClH/c1-9(4-5-12)11(15)14-7-6-13(3)8-10(14)2;/h9-11,15H,4-8H2,1-3H3;1H.
What are the key properties of 4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride?
4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride has a molecular weight of 271.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-ol;hydrochloride is sourced from PubChem (CID 67922843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).