[2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C20H29FN2O — CID 91910425

IUPAC[2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(C2CCC2)CC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H29FN2O/c21-18-6-4-16(5-7-18)12-22-10-8-20(9-11-22)15-23(13-17(20)14-24)19-2-1-3-19/h4-7,17,19,24H,1-3,8-15H2
InChIKeyLCJNAITZFHCZOH-UHFFFAOYSA-N
MW332.46 g/mol
LogP2.88
Rot. Bonds4

About [2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91910425) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is [2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91910425
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name[2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(C2CCC2)CC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H29FN2O/c21-18-6-4-16(5-7-18)12-22-10-8-20(9-11-22)15-23(13-17(20)14-24)19-2-1-3-19/h4-7,17,19,24H,1-3,8-15H2
InChIKeyLCJNAITZFHCZOH-UHFFFAOYSA-N
XLogP2.88
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[4-(Cyclopropylmethyl)-1-(3,4-difluorobenzyl)-2-piperazinyl]ethanol
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US11214540, Example 58
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[(1R,2S,5R,6R,7R)-3-benzyl-7-(diethylamino)-2-methyl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
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[2-Cyclobutyl-8-(2,5-difluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
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[1-[(2-Fluorophenyl)methyl]pyrrolidin-2-yl]methanol
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[1-[(4-Fluoro-3-methylphenyl)methyl]-3-methylpiperidin-3-yl]methanol
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[1-(3,5-Difluorobenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
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[1-(4-Fluoro-2-methylbenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91910425) is [2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(C2CCC2)CC12CCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of [2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is LCJNAITZFHCZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c21-18-6-4-16(5-7-18)12-22-10-8-20(9-11-22)15-23(13-17(20)14-24)19-2-1-3-19/h4-7,17,19,24H,1-3,8-15H2.
What are the key properties of [2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 332.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-8-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91910425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).