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

C19H28FN3O — CID 69492927

IUPAC4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CC[C@]3(CCCN(c4ccncc4F)C3)C2)CC1
InChIInChI=1S/C19H28FN3O/c20-17-12-21-9-6-18(17)23-10-1-7-19(14-23)8-11-22(13-19)15-2-4-16(24)5-3-15/h6,9,12,15-16,24H,1-5,7-8,10-11,13-14H2/t15?,16?,19-/m1/s1
InChIKeyHWENYWDGRHQYBW-LADRWXRNSA-N
MW333.45 g/mol
LogP2.82
Rot. Bonds2

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

4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 69492927) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID69492927
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CC[C@]3(CCCN(c4ccncc4F)C3)C2)CC1
InChIInChI=1S/C19H28FN3O/c20-17-12-21-9-6-18(17)23-10-1-7-19(14-23)8-11-22(13-19)15-2-4-16(24)5-3-15/h6,9,12,15-16,24H,1-5,7-8,10-11,13-14H2/t15?,16?,19-/m1/s1
InChIKeyHWENYWDGRHQYBW-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

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

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Launch Full Analysis

Related Compounds

[4-[(3-Fluorophenyl)methyl]-1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]methanol
CID 56853032
(4S)-1-(3-fluoro-4-pyridinyl)-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72859977
[3-Ethyl-1-(3-fluoro-4-pyridinyl)-3-piperidinyl]methanol
CID 72940971
(5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane
CID 164633602
8-(3-Fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739623
8-(2,5-Difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739656
(5S)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970843
(5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653301
9-(3-Fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722278
[1-(3-Fluoro-4-pyridinyl)piperidin-4-yl]methanol
CID 68586321
4-[8-(5-Chloro-2-fluoro-3-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69162138
4-[(5R)-7-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69491512

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 69492927) is 4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is OC1CCC(N2CC[C@]3(CCCN(c4ccncc4F)C3)C2)CC1.
What is the InChIKey of 4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is HWENYWDGRHQYBW-LADRWXRNSA-N. The full InChI is InChI=1S/C19H28FN3O/c20-17-12-21-9-6-18(17)23-10-1-7-19(14-23)8-11-22(13-19)15-2-4-16(24)5-3-15/h6,9,12,15-16,24H,1-5,7-8,10-11,13-14H2/t15?,16?,19-/m1/s1.
What are the key properties of 4-[(5R)-7-(3-fluoro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[(5R)-7-(3-fluoro-4-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-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69492927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).