4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol

C16H25N3O2 — CID 117470913

IUPAC4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol
SMILESOc1ccc(N2CCOCC2)cc1CCN1CCNCC1
InChIInChI=1S/C16H25N3O2/c20-16-2-1-15(19-9-11-21-12-10-19)13-14(16)3-6-18-7-4-17-5-8-18/h1-2,13,17,20H,3-12H2
InChIKeyDFLXMFYMHJOPON-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.68
Rot. Bonds4

About 4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol

4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol (PubChem CID 117470913) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol
PubChem CID117470913
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol
SMILESOc1ccc(N2CCOCC2)cc1CCN1CCNCC1
InChIInChI=1S/C16H25N3O2/c20-16-2-1-15(19-9-11-21-12-10-19)13-14(16)3-6-18-7-4-17-5-8-18/h1-2,13,17,20H,3-12H2
InChIKeyDFLXMFYMHJOPON-UHFFFAOYSA-N
XLogP0.68
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117380858
4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol
CID 117443167
4-[4-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)phenyl]morpholine
CID 67227304
4-nonyl-2-(2-piperazin-1-ylethyl)phenol
CID 175375260
2-chloro-5-morpholin-4-ylphenol
CID 84679971
2-(hydroxymethyl)-5-piperazin-1-ylphenol
CID 84780243
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
2-morpholin-2-yl-4-morpholin-4-ylphenol
CID 117415429
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol (CID 117470913) is 4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol is Oc1ccc(N2CCOCC2)cc1CCN1CCNCC1.
What is the InChIKey of 4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol?
The InChIKey is DFLXMFYMHJOPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-16-2-1-15(19-9-11-21-12-10-19)13-14(16)3-6-18-7-4-17-5-8-18/h1-2,13,17,20H,3-12H2.
What are the key properties of 4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol?
4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol has a molecular weight of 291.39 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 117470913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).