4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol

C11H21NO2 — CID 106246282

IUPAC4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCN1CC2(CCC2)C1
InChIInChI=1S/C11H21NO2/c1-14-7-10(13)3-6-12-8-11(9-12)4-2-5-11/h10,13H,2-9H2,1H3
InChIKeyBQKCYXUKWNFLSA-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.87
Rot. Bonds5

About 4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol

4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol (PubChem CID 106246282) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol
PubChem CID106246282
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCN1CC2(CCC2)C1
InChIInChI=1S/C11H21NO2/c1-14-7-10(13)3-6-12-8-11(9-12)4-2-5-11/h10,13H,2-9H2,1H3
InChIKeyBQKCYXUKWNFLSA-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol?
The IUPAC name of 4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol (CID 106246282) is 4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol is COCC(O)CCN1CC2(CCC2)C1.
What is the InChIKey of 4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol?
The InChIKey is BQKCYXUKWNFLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-14-7-10(13)3-6-12-8-11(9-12)4-2-5-11/h10,13H,2-9H2,1H3.
What are the key properties of 4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol?
4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol has a molecular weight of 199.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol is sourced from PubChem (CID 106246282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).