3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol

C18H26FNO — CID 63159878

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol
SMILESOC(CCN1CCC2(CCCC2)CC1)c1ccccc1F
InChIInChI=1S/C18H26FNO/c19-16-6-2-1-5-15(16)17(21)7-12-20-13-10-18(11-14-20)8-3-4-9-18/h1-2,5-6,17,21H,3-4,7-14H2
InChIKeyISFYCBZESZIIAS-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.91
Rot. Bonds4

About 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol

3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol (PubChem CID 63159878) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol
PubChem CID63159878
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol
SMILESOC(CCN1CCC2(CCCC2)CC1)c1ccccc1F
InChIInChI=1S/C18H26FNO/c19-16-6-2-1-5-15(16)17(21)7-12-20-13-10-18(11-14-20)8-3-4-9-18/h1-2,5-6,17,21H,3-4,7-14H2
InChIKeyISFYCBZESZIIAS-UHFFFAOYSA-N
XLogP3.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211
3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63160173
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 112629223
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63210835
3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63619578
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 63159696
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
CID 62631209

Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol (CID 63159878) is 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol is OC(CCN1CCC2(CCCC2)CC1)c1ccccc1F.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol?
The InChIKey is ISFYCBZESZIIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c19-16-6-2-1-5-15(16)17(21)7-12-20-13-10-18(11-14-20)8-3-4-9-18/h1-2,5-6,17,21H,3-4,7-14H2.
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol?
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol has a molecular weight of 291.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 63159878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).