4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

C19H27ClFN3O — CID 69161071

IUPAC4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CCC3(CCN(c4ncc(Cl)cc4F)CC3)C2)CC1
InChIInChI=1S/C19H27ClFN3O/c20-14-11-17(21)18(22-12-14)23-8-5-19(6-9-23)7-10-24(13-19)15-1-3-16(25)4-2-15/h11-12,15-16,25H,1-10,13H2
InChIKeyDOUVCTJQLRLNML-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.47
Rot. Bonds2

About 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 69161071) has the molecular formula C19H27ClFN3O and a molecular weight of 367.90 g/mol. Its IUPAC name is 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID69161071
Molecular FormulaC19H27ClFN3O
Molecular Weight367.90 g/mol
Exact Mass367.18
IUPAC Name4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CCC3(CCN(c4ncc(Cl)cc4F)CC3)C2)CC1
InChIInChI=1S/C19H27ClFN3O/c20-14-11-17(21)18(22-12-14)23-8-5-19(6-9-23)7-10-24(13-19)15-1-3-16(25)4-2-15/h11-12,15-16,25H,1-10,13H2
InChIKeyDOUVCTJQLRLNML-UHFFFAOYSA-N
XLogP3.47
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 69161071) is 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is OC1CCC(N2CCC3(CCN(c4ncc(Cl)cc4F)CC3)C2)CC1.
What is the InChIKey of 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is DOUVCTJQLRLNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFN3O/c20-14-11-17(21)18(22-12-14)23-8-5-19(6-9-23)7-10-24(13-19)15-1-3-16(25)4-2-15/h11-12,15-16,25H,1-10,13H2.
What are the key properties of 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol has a molecular weight of 367.90 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69161071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).