2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane

C14H21N3 — CID 3234713

IUPAC2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
SMILESc1cc(N2CCCC3(CCNCC3)C2)ccn1
InChIInChI=1S/C14H21N3/c1-4-14(5-9-16-10-6-14)12-17(11-1)13-2-7-15-8-3-13/h2-3,7-8,16H,1,4-6,9-12H2
InChIKeyXPTSEPHTIHPTNN-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.05
Rot. Bonds1

About 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane

2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 3234713) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
PubChem CID3234713
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
SMILESc1cc(N2CCCC3(CCNCC3)C2)ccn1
InChIInChI=1S/C14H21N3/c1-4-14(5-9-16-10-6-14)12-17(11-1)13-2-7-15-8-3-13/h2-3,7-8,16H,1,4-6,9-12H2
InChIKeyXPTSEPHTIHPTNN-UHFFFAOYSA-N
XLogP2.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane (CID 3234713) is 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane is c1cc(N2CCCC3(CCNCC3)C2)ccn1.
What is the InChIKey of 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is XPTSEPHTIHPTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-14(5-9-16-10-6-14)12-17(11-1)13-2-7-15-8-3-13/h2-3,7-8,16H,1,4-6,9-12H2.
What are the key properties of 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane?
2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 231.34 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3234713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).