[5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol

C21H27FN2O2 — CID 45189906

IUPAC[5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2)o1
InChIInChI=1S/C21H27FN2O2/c22-18-4-2-17(3-5-18)12-23-10-1-8-21(15-23)9-11-24(16-21)13-19-6-7-20(14-25)26-19/h2-7,25H,1,8-16H2
InChIKeyOFRWUJYIVWJENE-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.40
Rot. Bonds5

About [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol

[5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol (PubChem CID 45189906) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol
PubChem CID45189906
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name[5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2)o1
InChIInChI=1S/C21H27FN2O2/c22-18-4-2-17(3-5-18)12-23-10-1-8-21(15-23)9-11-24(16-21)13-19-6-7-20(14-25)26-19/h2-7,25H,1,8-16H2
InChIKeyOFRWUJYIVWJENE-UHFFFAOYSA-N
XLogP3.40
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
CID 91111605
2-(azepan-1-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45182786
(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482941
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 45171495
[5-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanol
CID 56917105
(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 95717588
5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one
CID 45224502
[5-(azocan-1-ylmethyl)furan-2-yl]methanol
CID 115879764
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56702363
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981

Frequently Asked Questions

What is the IUPAC name of [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol (CID 45189906) is [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol is OCc1ccc(CN2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2)o1.
What is the InChIKey of [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol?
The InChIKey is OFRWUJYIVWJENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c22-18-4-2-17(3-5-18)12-23-10-1-8-21(15-23)9-11-24(16-21)13-19-6-7-20(14-25)26-19/h2-7,25H,1,8-16H2.
What are the key properties of [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol?
[5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol has a molecular weight of 358.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 45189906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).