8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane

C14H19ClN2 — CID 66233219

IUPAC8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane
SMILESClc1ccc(N2CCC3(CCCC3)CC2)nc1
InChIInChI=1S/C14H19ClN2/c15-12-3-4-13(16-11-12)17-9-7-14(8-10-17)5-1-2-6-14/h3-4,11H,1-2,5-10H2
InChIKeyPTYIBOHBIGAZGE-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.90
Rot. Bonds1

About 8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane

8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane (PubChem CID 66233219) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane
PubChem CID66233219
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane
SMILESClc1ccc(N2CCC3(CCCC3)CC2)nc1
InChIInChI=1S/C14H19ClN2/c15-12-3-4-13(16-11-12)17-9-7-14(8-10-17)5-1-2-6-14/h3-4,11H,1-2,5-10H2
InChIKeyPTYIBOHBIGAZGE-UHFFFAOYSA-N
XLogP3.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane?
The IUPAC name of 8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane (CID 66233219) is 8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane is Clc1ccc(N2CCC3(CCCC3)CC2)nc1.
What is the InChIKey of 8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane?
The InChIKey is PTYIBOHBIGAZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-12-3-4-13(16-11-12)17-9-7-14(8-10-17)5-1-2-6-14/h3-4,11H,1-2,5-10H2.
What are the key properties of 8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane?
8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane has a molecular weight of 250.77 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 66233219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).