2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol

C19H28FN3O — CID 163839611

IUPAC2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol
SMILESOC1N(C2CCCCC2)CCC12CCN(c1ccncc1F)CC2
InChIInChI=1S/C19H28FN3O/c20-16-14-21-10-6-17(16)22-11-7-19(8-12-22)9-13-23(18(19)24)15-4-2-1-3-5-15/h6,10,14-15,18,24H,1-5,7-9,11-13H2
InChIKeyOKUBCBSWQQVRGD-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.16
Rot. Bonds2

About 2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol

2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol (PubChem CID 163839611) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol
PubChem CID163839611
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol
SMILESOC1N(C2CCCCC2)CCC12CCN(c1ccncc1F)CC2
InChIInChI=1S/C19H28FN3O/c20-16-14-21-10-6-17(16)22-11-7-19(8-12-22)9-13-23(18(19)24)15-4-2-1-3-5-15/h6,10,14-15,18,24H,1-5,7-9,11-13H2
InChIKeyOKUBCBSWQQVRGD-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol?
The IUPAC name of 2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol (CID 163839611) is 2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol.
What is the SMILES notation for 2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol?
The canonical SMILES for 2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol is OC1N(C2CCCCC2)CCC12CCN(c1ccncc1F)CC2.
What is the InChIKey of 2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol?
The InChIKey is OKUBCBSWQQVRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c20-16-14-21-10-6-17(16)22-11-7-19(8-12-22)9-13-23(18(19)24)15-4-2-1-3-5-15/h6,10,14-15,18,24H,1-5,7-9,11-13H2.
What are the key properties of 2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol?
2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol has a molecular weight of 333.45 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-(3-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-ol is sourced from PubChem (CID 163839611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).