8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C14H18FNO2 — CID 6466091

IUPAC8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1cccc(CN2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-2-12(10-13)11-16-6-4-14(5-7-16)17-8-9-18-14/h1-3,10H,4-9,11H2
InChIKeyMCWPOEPNYMCVLP-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.16
Rot. Bonds2

About 8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 6466091) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID6466091
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1cccc(CN2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-2-12(10-13)11-16-6-4-14(5-7-16)17-8-9-18-14/h1-3,10H,4-9,11H2
InChIKeyMCWPOEPNYMCVLP-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
8-[(3-bromo-4-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 60523654
8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 113345091
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724922
1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 95707891
9-[(3-fluorophenyl)methyl]-3-(thiophen-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370625
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112994183
8-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 46044536
8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane
CID 58923565

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 6466091) is 8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1cccc(CN2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is MCWPOEPNYMCVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-3-1-2-12(10-13)11-16-6-4-14(5-7-16)17-8-9-18-14/h1-3,10H,4-9,11H2.
What are the key properties of 8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 251.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 6466091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).