8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane

C16H23NO3 — CID 130536954

IUPAC8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(COCCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H23NO3/c1-2-4-15(5-3-1)14-18-11-10-17-8-6-16(7-9-17)19-12-13-20-16/h1-5H,6-14H2
InChIKeyWZNFDQXQZITDDA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.04
Rot. Bonds5

About 8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 130536954) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID130536954
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(COCCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H23NO3/c1-2-4-15(5-3-1)14-18-11-10-17-8-6-16(7-9-17)19-12-13-20-16/h1-5H,6-14H2
InChIKeyWZNFDQXQZITDDA-UHFFFAOYSA-N
XLogP2.04
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 79885602
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(2-phenylmethoxyethyl)piperidin-4-ol
CID 72869524
6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane
CID 170714850
4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide
CID 24728036
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane
CID 87590661
8-[2-(4-fluorophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 19794404
2-cyclopentyl-9-(2-phenylmethoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713615

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 130536954) is 8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(COCCN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is WZNFDQXQZITDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-4-15(5-3-1)14-18-11-10-17-8-6-16(7-9-17)19-12-13-20-16/h1-5H,6-14H2.
What are the key properties of 8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 277.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 130536954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).