4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine

C31H35FN4O2 — CID 10142488

IUPAC4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine
SMILESFc1ccc2[nH]cc(CCCN3CCN(c4ccccc4Oc4cccc(N5CCOCC5)c4)CC3)c2c1
InChIInChI=1S/C31H35FN4O2/c32-25-10-11-29-28(21-25)24(23-33-29)5-4-12-34-13-15-36(16-14-34)30-8-1-2-9-31(30)38-27-7-3-6-26(22-27)35-17-19-37-20-18-35/h1-3,6-11,21-23,33H,4-5,12-20H2
InChIKeyQHIPGMYRQRWNRR-UHFFFAOYSA-N
MW514.65 g/mol
LogP5.69
Rot. Bonds8

About 4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine

4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine (PubChem CID 10142488) has the molecular formula C31H35FN4O2 and a molecular weight of 514.65 g/mol. Its IUPAC name is 4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine
PubChem CID10142488
Molecular FormulaC31H35FN4O2
Molecular Weight514.65 g/mol
Exact Mass514.27
IUPAC Name4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine
SMILESFc1ccc2[nH]cc(CCCN3CCN(c4ccccc4Oc4cccc(N5CCOCC5)c4)CC3)c2c1
InChIInChI=1S/C31H35FN4O2/c32-25-10-11-29-28(21-25)24(23-33-29)5-4-12-34-13-15-36(16-14-34)30-8-1-2-9-31(30)38-27-7-3-6-26(22-27)35-17-19-37-20-18-35/h1-3,6-11,21-23,33H,4-5,12-20H2
InChIKeyQHIPGMYRQRWNRR-UHFFFAOYSA-N
XLogP5.69
TPSA43.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine?
The IUPAC name of 4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine (CID 10142488) is 4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine.
What is the SMILES notation for 4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine?
The canonical SMILES for 4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine is Fc1ccc2[nH]cc(CCCN3CCN(c4ccccc4Oc4cccc(N5CCOCC5)c4)CC3)c2c1.
What is the InChIKey of 4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine?
The InChIKey is QHIPGMYRQRWNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN4O2/c32-25-10-11-29-28(21-25)24(23-33-29)5-4-12-34-13-15-36(16-14-34)30-8-1-2-9-31(30)38-27-7-3-6-26(22-27)35-17-19-37-20-18-35/h1-3,6-11,21-23,33H,4-5,12-20H2.
What are the key properties of 4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine?
4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine has a molecular weight of 514.65 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]phenyl]morpholine is sourced from PubChem (CID 10142488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).