4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride

C18H30Cl2N2O3 — CID 154914796

IUPAC4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride
SMILESCOc1ccc(OCCCN2CCOC3(CCNCC3)C2)cc1.Cl.Cl
InChIInChI=1S/C18H28N2O3.2ClH/c1-21-16-3-5-17(6-4-16)22-13-2-11-20-12-14-23-18(15-20)7-9-19-10-8-18;;/h3-6,19H,2,7-15H2,1H3;2*1H
InChIKeyACSVATUJCDEPFR-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.76
Rot. Bonds6

About 4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride

4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride (PubChem CID 154914796) has the molecular formula C18H30Cl2N2O3 and a molecular weight of 393.36 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride.

Molecular Properties

Compound Name4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride
PubChem CID154914796
Molecular FormulaC18H30Cl2N2O3
Molecular Weight393.36 g/mol
Exact Mass392.16
IUPAC Name4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride
SMILESCOc1ccc(OCCCN2CCOC3(CCNCC3)C2)cc1.Cl.Cl
InChIInChI=1S/C18H28N2O3.2ClH/c1-21-16-3-5-17(6-4-16)22-13-2-11-20-12-14-23-18(15-20)7-9-19-10-8-18;;/h3-6,19H,2,7-15H2,1H3;2*1H
InChIKeyACSVATUJCDEPFR-UHFFFAOYSA-N
XLogP2.76
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline
CID 43592366
4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 175903976
2-[3-(2-methylphenoxy)propyl]-6-oxa-2,9-diazaspiro[4.5]decane
CID 136560998
3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098655
4-[2-(4-fluorophenoxy)ethyl]-9-(pyrimidin-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 131926555
8-(4-methoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131644254
9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134335591
4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine
CID 74230951
1-(3-phenoxypropyl)piperazine
CID 2760351
4-[(2,4-dipropoxyphenyl)methyl]-1,9-dioxa-4-azaspiro[5.5]undecane
CID 126787310
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride?
The IUPAC name of 4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride (CID 154914796) is 4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride.
What is the SMILES notation for 4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride?
The canonical SMILES for 4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride is COc1ccc(OCCCN2CCOC3(CCNCC3)C2)cc1.Cl.Cl.
What is the InChIKey of 4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride?
The InChIKey is ACSVATUJCDEPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.2ClH/c1-21-16-3-5-17(6-4-16)22-13-2-11-20-12-14-23-18(15-20)7-9-19-10-8-18;;/h3-6,19H,2,7-15H2,1H3;2*1H.
What are the key properties of 4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride?
4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride has a molecular weight of 393.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride is sourced from PubChem (CID 154914796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).