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

C14H26N2O — CID 177319298

IUPAC2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C14H26N2O/c1-12-3-5-16(6-4-12)11-14(17)7-13(8-14)9-15(2)10-13/h12,17H,3-11H2,1-2H3
InChIKeyADGDCWHLZYLGDW-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.17
Rot. Bonds2

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

2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol (PubChem CID 177319298) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
PubChem CID177319298
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C14H26N2O/c1-12-3-5-16(6-4-12)11-14(17)7-13(8-14)9-15(2)10-13/h12,17H,3-11H2,1-2H3
InChIKeyADGDCWHLZYLGDW-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1,4-Dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane
CID 142327104
6-Methyl-2-(3-methylbutyl)-2-azaspiro[3.3]heptan-6-ol
CID 175620266
6-(2-Piperidin-1-ylethyl)-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
CID 177010463
6-[2-(4-Methylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
CID 177010810
6-[2-(4-Methylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
CID 177010964
2-Methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
CID 177319129
Ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
CID 177319212
Ethane;6-[(4-ethylpiperidin-1-yl)methyl]-2-methyl-2-azaspiro[3.3]heptan-6-ol
CID 177319239
Ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
CID 177319297
Ethane;2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
CID 177319368
Ethane;2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol
CID 177319458
1-Methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol
CID 83817388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of 2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol (CID 177319298) is 2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for 2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol is CC1CCN(CC2(O)CC3(CN(C)C3)C2)CC1.
What is the InChIKey of 2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is ADGDCWHLZYLGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12-3-5-16(6-4-12)11-14(17)7-13(8-14)9-15(2)10-13/h12,17H,3-11H2,1-2H3.
What are the key properties of 2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol?
2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 238.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-methylpiperidin-1-yl)methyl]-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 177319298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).