4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

C19H28FN3O — CID 69491512

IUPAC4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CC[C@]3(CCCN(c4ncccc4F)C3)C2)CC1
InChIInChI=1S/C19H28FN3O/c20-17-3-1-10-21-18(17)23-11-2-8-19(14-23)9-12-22(13-19)15-4-6-16(24)7-5-15/h1,3,10,15-16,24H,2,4-9,11-14H2/t15?,16?,19-/m1/s1
InChIKeyUQMCUXMYLCNTFG-LADRWXRNSA-N
MW333.45 g/mol
LogP2.82
Rot. Bonds2

About 4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 69491512) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID69491512
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CC[C@]3(CCCN(c4ncccc4F)C3)C2)CC1
InChIInChI=1S/C19H28FN3O/c20-17-3-1-10-21-18(17)23-11-2-8-19(14-23)9-12-22(13-19)15-4-6-16(24)7-5-15/h1,3,10,15-16,24H,2,4-9,11-14H2/t15?,16?,19-/m1/s1
InChIKeyUQMCUXMYLCNTFG-LADRWXRNSA-N
XLogP2.82
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 69491512) is 4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is OC1CCC(N2CC[C@]3(CCCN(c4ncccc4F)C3)C2)CC1.
What is the InChIKey of 4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is UQMCUXMYLCNTFG-LADRWXRNSA-N. The full InChI is InChI=1S/C19H28FN3O/c20-17-3-1-10-21-18(17)23-11-2-8-19(14-23)9-12-22(13-19)15-4-6-16(24)7-5-15/h1,3,10,15-16,24H,2,4-9,11-14H2/t15?,16?,19-/m1/s1.
What are the key properties of 4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol has a molecular weight of 333.45 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69491512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).