4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine

C30H44N4O2 — CID 170869798

IUPAC4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
SMILESc1ccc(N2CCN(c3ccccc3CCCN3CCOCC3)CC2)c(CCCN2CCOCC2)c1
InChIInChI=1S/C30H44N4O2/c1-3-11-29(27(7-1)9-5-13-31-19-23-35-24-20-31)33-15-17-34(18-16-33)30-12-4-2-8-28(30)10-6-14-32-21-25-36-26-22-32/h1-4,7-8,11-12H,5-6,9-10,13-26H2
InChIKeyRBGCOMWLNLVXCZ-UHFFFAOYSA-N
MW492.71 g/mol
LogP3.54
Rot. Bonds10

About 4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine

4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine (PubChem CID 170869798) has the molecular formula C30H44N4O2 and a molecular weight of 492.71 g/mol. Its IUPAC name is 4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
PubChem CID170869798
Molecular FormulaC30H44N4O2
Molecular Weight492.71 g/mol
Exact Mass492.35
IUPAC Name4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
SMILESc1ccc(N2CCN(c3ccccc3CCCN3CCOCC3)CC2)c(CCCN2CCOCC2)c1
InChIInChI=1S/C30H44N4O2/c1-3-11-29(27(7-1)9-5-13-31-19-23-35-24-20-31)33-15-17-34(18-16-33)30-12-4-2-8-28(30)10-6-14-32-21-25-36-26-22-32/h1-4,7-8,11-12H,5-6,9-10,13-26H2
InChIKeyRBGCOMWLNLVXCZ-UHFFFAOYSA-N
XLogP3.54
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869917
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CID 170869299
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-[2-(4-benzylpiperazin-1-yl)-5-fluorophenyl]propyl]morpholine
CID 170870600
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
4-[3-(2,3-dihydro-1H-indol-7-yl)propyl]morpholine
CID 115105401
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine (CID 170869798) is 4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine is c1ccc(N2CCN(c3ccccc3CCCN3CCOCC3)CC2)c(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine?
The InChIKey is RBGCOMWLNLVXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O2/c1-3-11-29(27(7-1)9-5-13-31-19-23-35-24-20-31)33-15-17-34(18-16-33)30-12-4-2-8-28(30)10-6-14-32-21-25-36-26-22-32/h1-4,7-8,11-12H,5-6,9-10,13-26H2.
What are the key properties of 4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine?
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine has a molecular weight of 492.71 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine is sourced from PubChem (CID 170869798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).