2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane

C13H21N3 — CID 70854007

IUPAC2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane
SMILESC1=CC(N2CCC3(CCCNC3)C2)CC=N1
InChIInChI=1S/C13H21N3/c1-4-13(10-15-6-1)5-9-16(11-13)12-2-7-14-8-3-12/h2,7-8,12,15H,1,3-6,9-11H2
InChIKeyUXKVGJFQYFBBAQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.42
Rot. Bonds1

About 2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane

2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 70854007) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane
PubChem CID70854007
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane
SMILESC1=CC(N2CCC3(CCCNC3)C2)CC=N1
InChIInChI=1S/C13H21N3/c1-4-13(10-15-6-1)5-9-16(11-13)12-2-7-14-8-3-12/h2,7-8,12,15H,1,3-6,9-11H2
InChIKeyUXKVGJFQYFBBAQ-UHFFFAOYSA-N
XLogP1.42
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane (CID 70854007) is 2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane is C1=CC(N2CCC3(CCCNC3)C2)CC=N1.
What is the InChIKey of 2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is UXKVGJFQYFBBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-13(10-15-6-1)5-9-16(11-13)12-2-7-14-8-3-12/h2,7-8,12,15H,1,3-6,9-11H2.
What are the key properties of 2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane?
2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 219.33 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 70854007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).