4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine

C17H27N3O — CID 117109398

IUPAC4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine
SMILESCc1ccc(C(C)N2CCNCC2)c(N2CCOCC2)c1
InChIInChI=1S/C17H27N3O/c1-14-3-4-16(15(2)19-7-5-18-6-8-19)17(13-14)20-9-11-21-12-10-20/h3-4,13,15,18H,5-12H2,1-2H3
InChIKeyLSLHZXIBGRNXLJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.80
Rot. Bonds3

About 4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine

4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine (PubChem CID 117109398) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine
PubChem CID117109398
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine
SMILESCc1ccc(C(C)N2CCNCC2)c(N2CCOCC2)c1
InChIInChI=1S/C17H27N3O/c1-14-3-4-16(15(2)19-7-5-18-6-8-19)17(13-14)20-9-11-21-12-10-20/h3-4,13,15,18H,5-12H2,1-2H3
InChIKeyLSLHZXIBGRNXLJ-UHFFFAOYSA-N
XLogP1.80
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351
1-[(1R)-1-(2-bromo-4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171288103
4-methyl-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 93464487
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanol
CID 117115348
1-[1-(2,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 3830311
3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 117115891
methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
CID 117108710
1-[(R)-(2-fluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171287989
1-[(R)-(2-bromo-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171288124
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117116014
5-methyl-2-morpholin-4-ylaniline
CID 18952141

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine?
The IUPAC name of 4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine (CID 117109398) is 4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine.
What is the SMILES notation for 4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine?
The canonical SMILES for 4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine is Cc1ccc(C(C)N2CCNCC2)c(N2CCOCC2)c1.
What is the InChIKey of 4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine?
The InChIKey is LSLHZXIBGRNXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-3-4-16(15(2)19-7-5-18-6-8-19)17(13-14)20-9-11-21-12-10-20/h3-4,13,15,18H,5-12H2,1-2H3.
What are the key properties of 4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine?
4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine has a molecular weight of 289.42 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(1-piperazin-1-ylethyl)phenyl]morpholine is sourced from PubChem (CID 117109398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).