[2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C20H28F2N2O — CID 91921885

IUPAC[2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(C2CCC2)CC12CCN(Cc1cc(F)ccc1F)CC2
InChIInChI=1S/C20H28F2N2O/c21-17-4-5-19(22)15(10-17)11-23-8-6-20(7-9-23)14-24(12-16(20)13-25)18-2-1-3-18/h4-5,10,16,18,25H,1-3,6-9,11-14H2
InChIKeyKVPGYLRFSBRUSA-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.02
Rot. Bonds4

About [2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921885) has the molecular formula C20H28F2N2O and a molecular weight of 350.45 g/mol. Its IUPAC name is [2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921885
Molecular FormulaC20H28F2N2O
Molecular Weight350.45 g/mol
Exact Mass350.22
IUPAC Name[2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(C2CCC2)CC12CCN(Cc1cc(F)ccc1F)CC2
InChIInChI=1S/C20H28F2N2O/c21-17-4-5-19(22)15(10-17)11-23-8-6-20(7-9-23)14-24(12-16(20)13-25)18-2-1-3-18/h4-5,10,16,18,25H,1-3,6-9,11-14H2
InChIKeyKVPGYLRFSBRUSA-UHFFFAOYSA-N
XLogP3.02
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol with MolForge

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Related Compounds

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[2-Cyclobutyl-8-(4-fluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
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CID 45212647
[(1S,2R,5S,6S,7S)-3-benzyl-7-(diethylamino)-2-methyl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
CID 70684338
[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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[1-(4-Fluoro-3-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-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921885) is [2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(C2CCC2)CC12CCN(Cc1cc(F)ccc1F)CC2.
What is the InChIKey of [2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is KVPGYLRFSBRUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O/c21-17-4-5-19(22)15(10-17)11-23-8-6-20(7-9-23)14-24(12-16(20)13-25)18-2-1-3-18/h4-5,10,16,18,25H,1-3,6-9,11-14H2.
What are the key properties of [2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 350.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).