2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane

C17H25ClN2O — CID 102850259

IUPAC2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane
SMILESClc1ccccc1OCCN1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H25ClN2O/c18-15-5-1-2-6-16(15)21-12-11-20-10-4-8-17(14-20)7-3-9-19-13-17/h1-2,5-6,19H,3-4,7-14H2
InChIKeyBVTXFFWPVRSGBS-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.18
Rot. Bonds4

About 2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane

2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 102850259) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane
PubChem CID102850259
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane
SMILESClc1ccccc1OCCN1CCCC2(CCCNC2)C1
InChIInChI=1S/C17H25ClN2O/c18-15-5-1-2-6-16(15)21-12-11-20-10-4-8-17(14-20)7-3-9-19-13-17/h1-2,5-6,19H,3-4,7-14H2
InChIKeyBVTXFFWPVRSGBS-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane (CID 102850259) is 2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane is Clc1ccccc1OCCN1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is BVTXFFWPVRSGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c18-15-5-1-2-6-16(15)21-12-11-20-10-4-8-17(14-20)7-3-9-19-13-17/h1-2,5-6,19H,3-4,7-14H2.
What are the key properties of 2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane?
2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 308.85 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102850259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).