2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol

C13H25N3O — CID 177319129

IUPAC2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCN1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C13H25N3O/c1-14-3-5-16(6-4-14)11-13(17)7-12(8-13)9-15(2)10-12/h17H,3-11H2,1-2H3
InChIKeyQLJRNLLEMLUOFU-UHFFFAOYSA-N
MW239.36 g/mol
LogP-0.31
Rot. Bonds2

About 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol

2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol (PubChem CID 177319129) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
PubChem CID177319129
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCN1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C13H25N3O/c1-14-3-5-16(6-4-14)11-13(17)7-12(8-13)9-15(2)10-12/h17H,3-11H2,1-2H3
InChIKeyQLJRNLLEMLUOFU-UHFFFAOYSA-N
XLogP-0.31
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol (CID 177319129) is 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol is CN1CCN(CC2(O)CC3(CN(C)C3)C2)CC1.
What is the InChIKey of 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is QLJRNLLEMLUOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-3-5-16(6-4-14)11-13(17)7-12(8-13)9-15(2)10-12/h17H,3-11H2,1-2H3.
What are the key properties of 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 239.36 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 177319129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).