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

C18H38N2O — CID 177319297

IUPACethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCC.CC.CC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C14H26N2O.2C2H6/c1-12-3-5-16(6-4-12)11-14(17)7-13(8-14)9-15(2)10-13;2*1-2/h12,17H,3-11H2,1-2H3;2*1-2H3
InChIKeyYFNWSDXMZCYWAT-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.23
Rot. Bonds2

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

ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol (PubChem CID 177319297) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Nameethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
PubChem CID177319297
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Nameethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCC.CC.CC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C14H26N2O.2C2H6/c1-12-3-5-16(6-4-12)11-14(17)7-13(8-14)9-15(2)10-13;2*1-2/h12,17H,3-11H2,1-2H3;2*1-2H3
InChIKeyYFNWSDXMZCYWAT-UHFFFAOYSA-N
XLogP3.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol (CID 177319297) is ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol is CC.CC.CC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1.
What is the InChIKey of ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is YFNWSDXMZCYWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.2C2H6/c1-12-3-5-16(6-4-12)11-14(17)7-13(8-14)9-15(2)10-13;2*1-2/h12,17H,3-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 298.51 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 177319297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).