8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C16H23NO2 — CID 78992347

IUPAC8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCc1ccc(CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H23NO2/c1-2-14-3-5-15(6-4-14)13-17-9-7-16(8-10-17)18-11-12-19-16/h3-6H,2,7-13H2,1H3
InChIKeyRKJNCTBBYPZKQP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.59
Rot. Bonds3

About 8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 78992347) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID78992347
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCc1ccc(CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H23NO2/c1-2-14-3-5-15(6-4-14)13-17-9-7-16(8-10-17)18-11-12-19-16/h3-6H,2,7-13H2,1H3
InChIKeyRKJNCTBBYPZKQP-UHFFFAOYSA-N
XLogP2.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

AJ-190/13485012
CID 899309
3-[(4-Tert-butylphenyl)methyl]-7,12-dioxa-3-azaspiro[5.6]dodecane
CID 145980457
3-[(4-Tert-butylphenyl)methyl]-7,11-dioxa-3-azaspiro[5.5]undecane
CID 145980864
1,4-Dioxa-8-azaspiro(4,5)decane, 6-methyl-8-(1-phenylcyclohexyl)-, hydrobromide
CID 58201
(8-Benzyl-1,4-dioxa-8-aza-spiro(4.5)dec-6-YL)-methanol
CID 3563668
9-[(4-Fluoro-2-methylphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 104013520
3-Ethoxy-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742398
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
4-(4-Ethylbenzyl)morpholine
CID 783688
1-Benzyl-4,4-dimethoxypiperidine
CID 563186
8-(2,3-Difluoro-4-methylbenzyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 77094668
(3aS,7R,7aS)-5-benzyl-7-fluoro-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 9993032

Frequently Asked Questions

What is the IUPAC name of 8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 78992347) is 8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is CCc1ccc(CN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is RKJNCTBBYPZKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-14-3-5-15(6-4-14)13-17-9-7-16(8-10-17)18-11-12-19-16/h3-6H,2,7-13H2,1H3.
What are the key properties of 8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 261.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 78992347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).