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

C16H32N2O — CID 177319368

IUPACethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCC.CC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C14H26N2O.C2H6/c1-12-3-5-16(6-4-12)11-14(17)7-13(8-14)9-15(2)10-13;1-2/h12,17H,3-11H2,1-2H3;1-2H3
InChIKeyIDTMIVNCZXOJKZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.20
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 177319368) has the molecular formula C16H32N2O and a molecular weight of 268.44 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 CID177319368
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Nameethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCC.CC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C14H26N2O.C2H6/c1-12-3-5-16(6-4-12)11-14(17)7-13(8-14)9-15(2)10-13;1-2/h12,17H,3-11H2,1-2H3;1-2H3
InChIKeyIDTMIVNCZXOJKZ-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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 177319368) 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.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 IDTMIVNCZXOJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C2H6/c1-12-3-5-16(6-4-12)11-14(17)7-13(8-14)9-15(2)10-13;1-2/h12,17H,3-11H2,1-2H3;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 268.44 g/mol, XLogP of 2.20, 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 177319368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).