1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine

C57H87N5O4S — CID 158715418

IUPAC1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine
SMILESCC(C)Cc1cccc(N2CCCC2)c1.CC(C)Cc1ccccc1N1CCN(C)CC1.CC(C)Cc1ccccc1N1CCOCC1.CC(C)Cc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H24N2.C14H21NO3S.C14H21NO.C14H21N/c1-13(2)12-14-6-4-5-7-15(14)17-10-8-16(3)9-11-17;1-12(2)11-13-5-3-4-6-14(13)19(16,17)15-7-9-18-10-8-15;1-12(2)11-13-5-3-4-6-14(13)15-7-9-16-10-8-15;1-12(2)10-13-6-5-7-14(11-13)15-8-3-4-9-15/h4-7,13H,8-12H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-7,11-12H,3-4,8-10H2,1-2H3
InChIKeyIJGAQRBPYIFWEJ-UHFFFAOYSA-N
MW938.42 g/mol
LogP10.75
Rot. Bonds13

About 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine

1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine (PubChem CID 158715418) has the molecular formula C57H87N5O4S and a molecular weight of 938.42 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine
PubChem CID158715418
Molecular FormulaC57H87N5O4S
Molecular Weight938.42 g/mol
Exact Mass937.65
IUPAC Name1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine
SMILESCC(C)Cc1cccc(N2CCCC2)c1.CC(C)Cc1ccccc1N1CCN(C)CC1.CC(C)Cc1ccccc1N1CCOCC1.CC(C)Cc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H24N2.C14H21NO3S.C14H21NO.C14H21N/c1-13(2)12-14-6-4-5-7-15(14)17-10-8-16(3)9-11-17;1-12(2)11-13-5-3-4-6-14(13)19(16,17)15-7-9-18-10-8-15;1-12(2)11-13-5-3-4-6-14(13)15-7-9-16-10-8-15;1-12(2)10-13-6-5-7-14(11-13)15-8-3-4-9-15/h4-7,13H,8-12H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-7,11-12H,3-4,8-10H2,1-2H3
InChIKeyIJGAQRBPYIFWEJ-UHFFFAOYSA-N
XLogP10.75
TPSA68.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.42
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine with MolForge

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Related Compounds

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
CID 68565404
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine
CID 163628982
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
4-[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 97254906
2-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117410747
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529
N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine
CID 126798588
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 45356007
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine?
The IUPAC name of 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine (CID 158715418) is 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine is CC(C)Cc1cccc(N2CCCC2)c1.CC(C)Cc1ccccc1N1CCN(C)CC1.CC(C)Cc1ccccc1N1CCOCC1.CC(C)Cc1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine?
The InChIKey is IJGAQRBPYIFWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C14H21NO3S.C14H21NO.C14H21N/c1-13(2)12-14-6-4-5-7-15(14)17-10-8-16(3)9-11-17;1-12(2)11-13-5-3-4-6-14(13)19(16,17)15-7-9-18-10-8-15;1-12(2)11-13-5-3-4-6-14(13)15-7-9-16-10-8-15;1-12(2)10-13-6-5-7-14(11-13)15-8-3-4-9-15/h4-7,13H,8-12H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-6,12H,7-11H2,1-2H3;5-7,11-12H,3-4,8-10H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine?
1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine has a molecular weight of 938.42 g/mol, XLogP of 10.75, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-methylpropyl)phenyl]piperazine;4-[2-(2-methylpropyl)phenyl]morpholine;1-[3-(2-methylpropyl)phenyl]pyrrolidine;4-[2-(2-methylpropyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 158715418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).