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

C17H34N2O — CID 177319239

IUPACethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol
SMILESCC.CCC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C15H28N2O.C2H6/c1-3-13-4-6-17(7-5-13)12-15(18)8-14(9-15)10-16(2)11-14;1-2/h13,18H,3-12H2,1-2H3;1-2H3
InChIKeyUMJHADRZIDJRHC-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.59
Rot. Bonds3

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

ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol (PubChem CID 177319239) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Nameethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol
PubChem CID177319239
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Nameethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol
SMILESCC.CCC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C15H28N2O.C2H6/c1-3-13-4-6-17(7-5-13)12-15(18)8-14(9-15)10-16(2)11-14;1-2/h13,18H,3-12H2,1-2H3;1-2H3
InChIKeyUMJHADRZIDJRHC-UHFFFAOYSA-N
XLogP2.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol (CID 177319239) is ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol is CC.CCC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1.
What is the InChIKey of ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is UMJHADRZIDJRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.C2H6/c1-3-13-4-6-17(7-5-13)12-15(18)8-14(9-15)10-16(2)11-14;1-2/h13,18H,3-12H2,1-2H3;1-2H3.
What are the key properties of ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol?
ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 282.47 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 177319239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).