methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone

C48H79N5O6 — CID 157308320

IUPACmethane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESC.C.COCCN1CCOCC1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(OCCN2CCCC2)cc1.Cc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C13H18N2O.C13H19NO2.C13H19NO.C7H15NO2.2CH4/c1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14;1-9-5-2-8-3-6-10-7-4-8;;/h3-6H,7-10H2,1-2H3;2-5H,6-11H2,1H3;4-7H,2-3,8-11H2,1H3;2-7H2,1H3;2*1H4
InChIKeyBCTCIVZYCHXETI-UHFFFAOYSA-N
MW822.19 g/mol
LogP6.80
Rot. Bonds12

About methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone

methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 157308320) has the molecular formula C48H79N5O6 and a molecular weight of 822.19 g/mol. Its IUPAC name is methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namemethane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID157308320
Molecular FormulaC48H79N5O6
Molecular Weight822.19 g/mol
Exact Mass821.60
IUPAC Namemethane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESC.C.COCCN1CCOCC1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(OCCN2CCCC2)cc1.Cc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C13H18N2O.C13H19NO2.C13H19NO.C7H15NO2.2CH4/c1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14;1-9-5-2-8-3-6-10-7-4-8;;/h3-6H,7-10H2,1-2H3;2-5H,6-11H2,1H3;4-7H,2-3,8-11H2,1H3;2-7H2,1H3;2*1H4
InChIKeyBCTCIVZYCHXETI-UHFFFAOYSA-N
XLogP6.80
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.19
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1-methoxy-N,N-dimethylmethanamine;4-(methoxymethyl)morpholine;1-(methoxymethyl)pyrrolidine;1-[(4-methylphenoxy)methyl]piperidine;1-[(4-methylphenoxy)methyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;1-(4-methylpiperazin-1-yl)ethanone
CID 158722862
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
N,N-diethyl-2-methoxyethanamine;N-[2-(dimethylamino)ethyl]-N-ethylacetamide;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 158725021
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110638166
[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10389448
[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine
CID 142171815
1,3-benzodioxol-5-yl-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638157
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005

Frequently Asked Questions

What is the IUPAC name of methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone (CID 157308320) is methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone is C.C.COCCN1CCOCC1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(OCCN2CCCC2)cc1.Cc1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BCTCIVZYCHXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C13H19NO2.C13H19NO.C7H15NO2.2CH4/c1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14;1-9-5-2-8-3-6-10-7-4-8;;/h3-6H,7-10H2,1-2H3;2-5H,6-11H2,1H3;4-7H,2-3,8-11H2,1H3;2-7H2,1H3;2*1H4.
What are the key properties of methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 822.19 g/mol, XLogP of 6.80, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(2-methoxyethyl)morpholine;4-[2-(4-methylphenoxy)ethyl]morpholine;1-[2-(4-methylphenoxy)ethyl]pyrrolidine;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 157308320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).