2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol

C13H24N2O — CID 171083121

IUPAC2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol
SMILESOC1CC2(C1)CN(CCC1CCNCC1)C2
InChIInChI=1S/C13H24N2O/c16-12-7-13(8-12)9-15(10-13)6-3-11-1-4-14-5-2-11/h11-12,14,16H,1-10H2
InChIKeyYEORDXNMRGBJCN-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.83
Rot. Bonds3

About 2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol

2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol (PubChem CID 171083121) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol
PubChem CID171083121
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol
SMILESOC1CC2(C1)CN(CCC1CCNCC1)C2
InChIInChI=1S/C13H24N2O/c16-12-7-13(8-12)9-15(10-13)6-3-11-1-4-14-5-2-11/h11-12,14,16H,1-10H2
InChIKeyYEORDXNMRGBJCN-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Azetidin-1-yl)-1-piperidin-4-ylbutan-1-ol
CID 70003747
3-(Azetidin-1-yl)-1-piperidin-4-ylpropan-1-ol
CID 70004178
[1-[3-(Azetidin-3-yl)propyl]piperidin-4-yl]methanol
CID 124014988
[1-(Azetidin-3-ylmethyl)piperidin-4-yl]methanol
CID 130530864
1-(2,7-Diazaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol
CID 135300106
Cyclopropyl(2,7-diazaspiro[3.5]nonan-2-yl)methanol
CID 137433035
3-[Methyl-[2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-yl]amino]cyclobutan-1-ol
CID 155583772
1-(Azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol
CID 156719708
N,N-diethylpropan-1-amine;3-(ethylaminomethyl)cyclobutan-1-ol;1-ethyl-4,4-dimethylpiperidine
CID 163239171
3-[[[2-Methyl-3-[1-(2-methylpropyl)piperidin-4-yl]propyl]amino]methyl]cyclobutan-1-ol
CID 167286437
cyclobutanol;(4S)-3,3,4-trimethylpiperidine
CID 171847210
6-[2-(4-Methylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
CID 177010964

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of 2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol (CID 171083121) is 2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for 2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol is OC1CC2(C1)CN(CCC1CCNCC1)C2.
What is the InChIKey of 2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is YEORDXNMRGBJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-12-7-13(8-12)9-15(10-13)6-3-11-1-4-14-5-2-11/h11-12,14,16H,1-10H2.
What are the key properties of 2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol?
2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 224.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethyl)-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 171083121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).