2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol

C15H21F2N3O — CID 97399378

IUPAC2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol
SMILESOCCN1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1
InChIInChI=1S/C15H21F2N3O/c16-15(17)4-6-19(8-9-21)11-14(15)3-7-20(12-14)13-2-1-5-18-10-13/h1-2,5,10,21H,3-4,6-9,11-12H2/t14-/m1/s1
InChIKeyPSOFPTOYGIEJFX-CQSZACIVSA-N
MW297.35 g/mol
LogP1.61
Rot. Bonds3

About 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol

2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol (PubChem CID 97399378) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol.

Molecular Properties

Compound Name2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol
PubChem CID97399378
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol
SMILESOCCN1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1
InChIInChI=1S/C15H21F2N3O/c16-15(17)4-6-19(8-9-21)11-14(15)3-7-20(12-14)13-2-1-5-18-10-13/h1-2,5,10,21H,3-4,6-9,11-12H2/t14-/m1/s1
InChIKeyPSOFPTOYGIEJFX-CQSZACIVSA-N
XLogP1.61
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(5R)-6,6-difluoro-9-(furan-3-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decane
CID 97374384
6,6-difluoro-2-pyridin-3-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696511
6,6-difluoro-2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171685860
(10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155856748
(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374417
[10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 134077535
(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374447
6,6-difluoro-2-pyridin-2-yl-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131642876
ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834003
(10,10-difluoro-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl)-(1,2-oxazol-5-yl)methanone
CID 134077534

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol?
The IUPAC name of 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol (CID 97399378) is 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol.
What is the SMILES notation for 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol?
The canonical SMILES for 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol is OCCN1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1.
What is the InChIKey of 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol?
The InChIKey is PSOFPTOYGIEJFX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21F2N3O/c16-15(17)4-6-19(8-9-21)11-14(15)3-7-20(12-14)13-2-1-5-18-10-13/h1-2,5,10,21H,3-4,6-9,11-12H2/t14-/m1/s1.
What are the key properties of 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol?
2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol has a molecular weight of 297.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol is sourced from PubChem (CID 97399378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).