3-piperidin-4-yl-2-azaspiro[3.3]heptane

C11H20N2 — CID 134968782

IUPAC3-piperidin-4-yl-2-azaspiro[3.3]heptane
SMILESC1CC2(C1)CNC2C1CCNCC1
InChIInChI=1S/C11H20N2/c1-4-11(5-1)8-13-10(11)9-2-6-12-7-3-9/h9-10,12-13H,1-8H2
InChIKeyTWBLWRXUNBONSL-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.13
Rot. Bonds1

About 3-piperidin-4-yl-2-azaspiro[3.3]heptane

3-piperidin-4-yl-2-azaspiro[3.3]heptane (PubChem CID 134968782) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-piperidin-4-yl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name3-piperidin-4-yl-2-azaspiro[3.3]heptane
PubChem CID134968782
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-piperidin-4-yl-2-azaspiro[3.3]heptane
SMILESC1CC2(C1)CNC2C1CCNCC1
InChIInChI=1S/C11H20N2/c1-4-11(5-1)8-13-10(11)9-2-6-12-7-3-9/h9-10,12-13H,1-8H2
InChIKeyTWBLWRXUNBONSL-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-2-azaspiro[3.3]heptane?
The IUPAC name of 3-piperidin-4-yl-2-azaspiro[3.3]heptane (CID 134968782) is 3-piperidin-4-yl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 3-piperidin-4-yl-2-azaspiro[3.3]heptane?
The canonical SMILES for 3-piperidin-4-yl-2-azaspiro[3.3]heptane is C1CC2(C1)CNC2C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-2-azaspiro[3.3]heptane?
The InChIKey is TWBLWRXUNBONSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-11(5-1)8-13-10(11)9-2-6-12-7-3-9/h9-10,12-13H,1-8H2.
What are the key properties of 3-piperidin-4-yl-2-azaspiro[3.3]heptane?
3-piperidin-4-yl-2-azaspiro[3.3]heptane has a molecular weight of 180.29 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 134968782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).