4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine

C24H38FN3O — CID 45209198

IUPAC4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine
SMILESCC(C)(CN1CCOCC1)CN1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C24H38FN3O/c1-23(2,17-26-12-14-29-15-13-26)18-28-11-9-24(20-28)8-3-10-27(19-24)16-21-4-6-22(25)7-5-21/h4-7H,3,8-20H2,1-2H3
InChIKeyRRUSSVQBGHEXKM-UHFFFAOYSA-N
MW403.59 g/mol
LogP3.47
Rot. Bonds6

About 4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine

4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine (PubChem CID 45209198) has the molecular formula C24H38FN3O and a molecular weight of 403.59 g/mol. Its IUPAC name is 4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine.

Molecular Properties

Compound Name4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine
PubChem CID45209198
Molecular FormulaC24H38FN3O
Molecular Weight403.59 g/mol
Exact Mass403.30
IUPAC Name4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine
SMILESCC(C)(CN1CCOCC1)CN1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C24H38FN3O/c1-23(2,17-26-12-14-29-15-13-26)18-28-11-9-24(20-28)8-3-10-27(19-24)16-21-4-6-22(25)7-5-21/h4-7H,3,8-20H2,1-2H3
InChIKeyRRUSSVQBGHEXKM-UHFFFAOYSA-N
XLogP3.47
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine?
The IUPAC name of 4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine (CID 45209198) is 4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine.
What is the SMILES notation for 4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine?
The canonical SMILES for 4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine is CC(C)(CN1CCOCC1)CN1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1.
What is the InChIKey of 4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine?
The InChIKey is RRUSSVQBGHEXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38FN3O/c1-23(2,17-26-12-14-29-15-13-26)18-28-11-9-24(20-28)8-3-10-27(19-24)16-21-4-6-22(25)7-5-21/h4-7H,3,8-20H2,1-2H3.
What are the key properties of 4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine?
4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine has a molecular weight of 403.59 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2,2-dimethylpropyl]morpholine is sourced from PubChem (CID 45209198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).