8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane

C13H17ClN2O2 — CID 71924206

IUPAC8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1COC2(CCN(c3ccncc3Cl)CC2)O1
InChIInChI=1S/C13H17ClN2O2/c1-10-9-17-13(18-10)3-6-16(7-4-13)12-2-5-15-8-11(12)14/h2,5,8,10H,3-4,6-7,9H2,1H3
InChIKeyFTYUWRMGTPNKCR-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.47
Rot. Bonds1

About 8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 71924206) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID71924206
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1COC2(CCN(c3ccncc3Cl)CC2)O1
InChIInChI=1S/C13H17ClN2O2/c1-10-9-17-13(18-10)3-6-16(7-4-13)12-2-5-15-8-11(12)14/h2,5,8,10H,3-4,6-7,9H2,1H3
InChIKeyFTYUWRMGTPNKCR-UHFFFAOYSA-N
XLogP2.47
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 71924206) is 8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane is CC1COC2(CCN(c3ccncc3Cl)CC2)O1.
What is the InChIKey of 8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is FTYUWRMGTPNKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-10-9-17-13(18-10)3-6-16(7-4-13)12-2-5-15-8-11(12)14/h2,5,8,10H,3-4,6-7,9H2,1H3.
What are the key properties of 8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 268.74 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 71924206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).