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

C21H31FN2O — CID 69492958

IUPAC4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESCc1cc(F)ccc1N1CCC[C@]2(CCN(C3CCC(O)CC3)C2)C1
InChIInChI=1S/C21H31FN2O/c1-16-13-17(22)3-8-20(16)24-11-2-9-21(15-24)10-12-23(14-21)18-4-6-19(25)7-5-18/h3,8,13,18-19,25H,2,4-7,9-12,14-15H2,1H3/t18?,19?,21-/m1/s1
InChIKeyOEBYGRPOZBTVTL-GZNCHQMQSA-N
MW346.49 g/mol
LogP3.73
Rot. Bonds2

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

4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 69492958) has the molecular formula C21H31FN2O and a molecular weight of 346.49 g/mol. Its IUPAC name is 4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID69492958
Molecular FormulaC21H31FN2O
Molecular Weight346.49 g/mol
Exact Mass346.24
IUPAC Name4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESCc1cc(F)ccc1N1CCC[C@]2(CCN(C3CCC(O)CC3)C2)C1
InChIInChI=1S/C21H31FN2O/c1-16-13-17(22)3-8-20(16)24-11-2-9-21(15-24)10-12-23(14-21)18-4-6-19(25)7-5-18/h3,8,13,18-19,25H,2,4-7,9-12,14-15H2,1H3/t18?,19?,21-/m1/s1
InChIKeyOEBYGRPOZBTVTL-GZNCHQMQSA-N
XLogP3.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 69492958) is 4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is Cc1cc(F)ccc1N1CCC[C@]2(CCN(C3CCC(O)CC3)C2)C1.
What is the InChIKey of 4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is OEBYGRPOZBTVTL-GZNCHQMQSA-N. The full InChI is InChI=1S/C21H31FN2O/c1-16-13-17(22)3-8-20(16)24-11-2-9-21(15-24)10-12-23(14-21)18-4-6-19(25)7-5-18/h3,8,13,18-19,25H,2,4-7,9-12,14-15H2,1H3/t18?,19?,21-/m1/s1.
What are the key properties of 4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol has a molecular weight of 346.49 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-7-(4-fluoro-2-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69492958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).