1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride

C18H29ClN2O2 — CID 119933584

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
SMILESCOc1ccccc1OCCN1CCNCC12CCCCC2.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-21-16-7-3-4-8-17(16)22-14-13-20-12-11-19-15-18(20)9-5-2-6-10-18;/h3-4,7-8,19H,2,5-6,9-15H2,1H3;1H
InChIKeyLSWHMJMJXGNGDE-UHFFFAOYSA-N
MW340.89 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride

1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride (PubChem CID 119933584) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
PubChem CID119933584
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
SMILESCOc1ccccc1OCCN1CCNCC12CCCCC2.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-21-16-7-3-4-8-17(16)22-14-13-20-12-11-19-15-18(20)9-5-2-6-10-18;/h3-4,7-8,19H,2,5-6,9-15H2,1H3;1H
InChIKeyLSWHMJMJXGNGDE-UHFFFAOYSA-N
XLogP3.10
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride (CID 119933584) is 1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride is COc1ccccc1OCCN1CCNCC12CCCCC2.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride?
The InChIKey is LSWHMJMJXGNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-21-16-7-3-4-8-17(16)22-14-13-20-12-11-19-15-18(20)9-5-2-6-10-18;/h3-4,7-8,19H,2,5-6,9-15H2,1H3;1H.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride?
1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 119933584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).