4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine

C24H28FN3O — CID 170426436

IUPAC4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine
SMILESCn1cc(C2CCN(c3ccc(N4CCOCC4)cc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H28FN3O/c1-26-17-23(22-16-19(25)2-7-24(22)26)18-8-10-27(11-9-18)20-3-5-21(6-4-20)28-12-14-29-15-13-28/h2-7,16-18H,8-15H2,1H3
InChIKeyYKBRLLVWRXVEPZ-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.54
Rot. Bonds3

About 4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine

4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine (PubChem CID 170426436) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine
PubChem CID170426436
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine
SMILESCn1cc(C2CCN(c3ccc(N4CCOCC4)cc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H28FN3O/c1-26-17-23(22-16-19(25)2-7-24(22)26)18-8-10-27(11-9-18)20-3-5-21(6-4-20)28-12-14-29-15-13-28/h2-7,16-18H,8-15H2,1H3
InChIKeyYKBRLLVWRXVEPZ-UHFFFAOYSA-N
XLogP4.54
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-5-fluoro-1-methylindole
CID 142650131
5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
CID 163253930
1,5-dimethyl-3-(oxan-4-yl)indole
CID 170793056
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 46974700
6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
CID 71457837
4-[3-fluoro-4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]morpholine
CID 154678443
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
CID 30133338
8-[4-[4-(5-fluoro-1-methylindol-3-yl)cyclohexyl]piperazin-1-yl]quinoline
CID 10181879
5-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495096
N,N-dimethyl-2-(1-methyl-5-morpholin-4-ylindol-3-yl)ethanamine
CID 176799532
5-chloro-3-cyclohexyl-1-methylindole
CID 135084055

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine (CID 170426436) is 4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine is Cn1cc(C2CCN(c3ccc(N4CCOCC4)cc3)CC2)c2cc(F)ccc21.
What is the InChIKey of 4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine?
The InChIKey is YKBRLLVWRXVEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-26-17-23(22-16-19(25)2-7-24(22)26)18-8-10-27(11-9-18)20-3-5-21(6-4-20)28-12-14-29-15-13-28/h2-7,16-18H,8-15H2,1H3.
What are the key properties of 4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine?
4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine has a molecular weight of 393.51 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine is sourced from PubChem (CID 170426436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).