[4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol

C17H23F2NO — CID 63078105

IUPAC[4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(N2CCC3(CCCCC3)CC2)c(F)c1
InChIInChI=1S/C17H23F2NO/c18-14-10-13(12-21)11-15(19)16(14)20-8-6-17(7-9-20)4-2-1-3-5-17/h10-11,21H,1-9,12H2
InChIKeyBBMOWALTYPSQGJ-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.01
Rot. Bonds2

About [4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol

[4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol (PubChem CID 63078105) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is [4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol
PubChem CID63078105
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name[4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(N2CCC3(CCCCC3)CC2)c(F)c1
InChIInChI=1S/C17H23F2NO/c18-14-10-13(12-21)11-15(19)16(14)20-8-6-17(7-9-20)4-2-1-3-5-17/h10-11,21H,1-9,12H2
InChIKeyBBMOWALTYPSQGJ-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4,4'-Bis(dimethylamino)benzhydrol
CID 92742
1-(4-Fluorophenyl)-2-[4-(2-fluorophenyl)piperazino]-1-ethanol
CID 2766998
2-(4-(Benzyl(ethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11574384
2-(4-(Benzyl(2,2,2-trifluoroethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11582802
2-(4-(Ethyl(phenethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11639715
2-{4-[Benzyl(butyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 25107513
1H,5H-Benzo(ij)quinolizinium, 2,3,6,7-tetrahydro-9-(hydroxymethyl)-4-methyl-, iodide
CID 461842
(3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)methanol
CID 43121028
2-(4-(Dibenzylamino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 1734080
3-(4-(4-Fluorophenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10805222
Benzenemethanol, 4-(4-methyl-1-piperazinyl)-alpha-(trifluoromethyl)-
CID 3058192
Ethanol, 2,2,2-trifluoro-1-((4-(1-(2-phenylethyl)-4-piperidinyl)phenyl)amino)-
CID 3058194

Frequently Asked Questions

What is the IUPAC name of [4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol (CID 63078105) is [4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol is OCc1cc(F)c(N2CCC3(CCCCC3)CC2)c(F)c1.
What is the InChIKey of [4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol?
The InChIKey is BBMOWALTYPSQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c18-14-10-13(12-21)11-15(19)16(14)20-8-6-17(7-9-20)4-2-1-3-5-17/h10-11,21H,1-9,12H2.
What are the key properties of [4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol?
[4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol has a molecular weight of 295.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-azaspiro[5.5]undecan-3-yl)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63078105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).