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

C17H37N3O — CID 177319212

IUPACethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCC.CC.CN1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C13H25N3O.2C2H6/c1-14-3-5-16(6-4-14)11-13(17)7-12(8-13)9-15(2)10-12;2*1-2/h17H,3-11H2,1-2H3;2*1-2H3
InChIKeySVYOAXCUIYVHFN-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.74
Rot. Bonds2

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

ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol (PubChem CID 177319212) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Nameethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
PubChem CID177319212
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Nameethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCC.CC.CN1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C13H25N3O.2C2H6/c1-14-3-5-16(6-4-14)11-13(17)7-12(8-13)9-15(2)10-12;2*1-2/h17H,3-11H2,1-2H3;2*1-2H3
InChIKeySVYOAXCUIYVHFN-UHFFFAOYSA-N
XLogP1.74
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol (CID 177319212) is ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol is CC.CC.CN1CCN(CC2(O)CC3(CN(C)C3)C2)CC1.
What is the InChIKey of ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is SVYOAXCUIYVHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2C2H6/c1-14-3-5-16(6-4-14)11-13(17)7-12(8-13)9-15(2)10-12;2*1-2/h17H,3-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 299.50 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 177319212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).