3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

C15H20ClNO — CID 73439149

IUPAC3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESClc1ccc(CC2COC3(CCNCC3)C2)cc1
InChIInChI=1S/C15H20ClNO/c16-14-3-1-12(2-4-14)9-13-10-15(18-11-13)5-7-17-8-6-15/h1-4,13,17H,5-11H2
InChIKeyHALVILPIFUYGDJ-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.04
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 73439149) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID73439149
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESClc1ccc(CC2COC3(CCNCC3)C2)cc1
InChIInChI=1S/C15H20ClNO/c16-14-3-1-12(2-4-14)9-13-10-15(18-11-13)5-7-17-8-6-15/h1-4,13,17H,5-11H2
InChIKeyHALVILPIFUYGDJ-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 73439149) is 3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is Clc1ccc(CC2COC3(CCNCC3)C2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is HALVILPIFUYGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-3-1-12(2-4-14)9-13-10-15(18-11-13)5-7-17-8-6-15/h1-4,13,17H,5-11H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 265.78 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 73439149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).