6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol

C17H32N2O — CID 177010546

IUPAC6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCCC(C)C1CCN(CCC2(O)CC3(CNC3)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-14(2)15-4-7-19(8-5-15)9-6-17(20)10-16(11-17)12-18-13-16/h14-15,18,20H,3-13H2,1-2H3
InChIKeyCBXJONWHRHLMNA-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.25
Rot. Bonds5

About 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol

6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol (PubChem CID 177010546) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
PubChem CID177010546
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCCC(C)C1CCN(CCC2(O)CC3(CNC3)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-14(2)15-4-7-19(8-5-15)9-6-17(20)10-16(11-17)12-18-13-16/h14-15,18,20H,3-13H2,1-2H3
InChIKeyCBXJONWHRHLMNA-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol with MolForge

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Related Compounds

Ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol
CID 176978995
6-(2-Piperidin-1-ylethyl)-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
CID 177010463
6-[2-(4-Aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
CID 177010618
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
6-[2-(4-Propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
CID 177011023
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
3-(Aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol
CID 106811287
4-[1-(Aminomethyl)cyclobutyl]-1-(2-methylpropyl)piperidin-4-ol
CID 108416335

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol (CID 177010546) is 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol is CCC(C)C1CCN(CCC2(O)CC3(CNC3)C2)CC1.
What is the InChIKey of 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is CBXJONWHRHLMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-14(2)15-4-7-19(8-5-15)9-6-17(20)10-16(11-17)12-18-13-16/h14-15,18,20H,3-13H2,1-2H3.
What are the key properties of 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol?
6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 280.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 177010546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).