8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C19H20Cl2N2O2 — CID 46044504

IUPAC8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1ccc(-c2cncc(CN3CCC4(CC3)OCCO4)c2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-17-2-1-15(10-18(17)21)16-9-14(11-22-12-16)13-23-5-3-19(4-6-23)24-7-8-25-19/h1-2,9-12H,3-8,13H2
InChIKeyAMAHQCFARGSWSB-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.39
Rot. Bonds3

About 8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 46044504) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID46044504
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1ccc(-c2cncc(CN3CCC4(CC3)OCCO4)c2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-17-2-1-15(10-18(17)21)16-9-14(11-22-12-16)13-23-5-3-19(4-6-23)24-7-8-25-19/h1-2,9-12H,3-8,13H2
InChIKeyAMAHQCFARGSWSB-UHFFFAOYSA-N
XLogP4.39
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 46044504) is 8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Clc1ccc(-c2cncc(CN3CCC4(CC3)OCCO4)c2)cc1Cl.
What is the InChIKey of 8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is AMAHQCFARGSWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-17-2-1-15(10-18(17)21)16-9-14(11-22-12-16)13-23-5-3-19(4-6-23)24-7-8-25-19/h1-2,9-12H,3-8,13H2.
What are the key properties of 8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 379.29 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 46044504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).