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

C61H105N9O8 — CID 158722862

IUPAC1-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
SMILESCC(=O)N1CCN(C)CC1.COCN(C)C.COCN1CCCC1.COCN1CCOCC1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(OCN2CCCC2)cc1.Cc1ccc(OCN2CCCCC2)cc1
InChIInChI=1S/C13H18N2O.C13H19NO.C12H17NO.C7H14N2O.C6H13NO2.C6H13NO.C4H11NO/c1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-12-5-7-13(8-6-12)15-11-14-9-3-2-4-10-14;1-11-4-6-12(7-5-11)14-10-13-8-2-3-9-13;1-7(10)9-5-3-8(2)4-6-9;1-8-6-7-2-4-9-5-3-7;1-8-6-7-4-2-3-5-7;1-5(2)4-6-3/h3-6H,7-10H2,1-2H3;5-8H,2-4,9-11H2,1H3;4-7H,2-3,8-10H2,1H3;3-6H2,1-2H3;2-6H2,1H3;2-6H2,1H3;4H2,1-3H3
InChIKeyIKDFADHDSFUBSG-UHFFFAOYSA-N
MW1092.57 g/mol
LogP7.17
Rot. Bonds13

About 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

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 (PubChem CID 158722862) has the molecular formula C61H105N9O8 and a molecular weight of 1092.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158722862
Molecular FormulaC61H105N9O8
Molecular Weight1092.57 g/mol
Exact Mass1091.81
IUPAC Name1-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
SMILESCC(=O)N1CCN(C)CC1.COCN(C)C.COCN1CCCC1.COCN1CCOCC1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(OCN2CCCC2)cc1.Cc1ccc(OCN2CCCCC2)cc1
InChIInChI=1S/C13H18N2O.C13H19NO.C12H17NO.C7H14N2O.C6H13NO2.C6H13NO.C4H11NO/c1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-12-5-7-13(8-6-12)15-11-14-9-3-2-4-10-14;1-11-4-6-12(7-5-11)14-10-13-8-2-3-9-13;1-7(10)9-5-3-8(2)4-6-9;1-8-6-7-2-4-9-5-3-7;1-8-6-7-4-2-3-5-7;1-5(2)4-6-3/h3-6H,7-10H2,1-2H3;5-8H,2-4,9-11H2,1H3;4-7H,2-3,8-10H2,1H3;3-6H2,1-2H3;2-6H2,1H3;2-6H2,1H3;4H2,1-3H3
InChIKeyIKDFADHDSFUBSG-UHFFFAOYSA-N
XLogP7.17
TPSA118.68 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001092.57
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10389448
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
4-[(4-methylpiperazin-1-yl)methoxy]benzoic acid
CID 20993713
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150427
[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine
CID 142171815
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422476
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
1-[(11S,12R,13R)-6-[4-[2-(dimethylamino)ethoxy]benzoyl]-11,12,13-trihydroxy-1-oxa-6,9-diazacyclotetradec-9-yl]ethanone
CID 155997238

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(C)CC1.COCN(C)C.COCN1CCCC1.COCN1CCOCC1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(OCN2CCCC2)cc1.Cc1ccc(OCN2CCCCC2)cc1.
What is the InChIKey of 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?
The InChIKey is IKDFADHDSFUBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C13H19NO.C12H17NO.C7H14N2O.C6H13NO2.C6H13NO.C4H11NO/c1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-12-5-7-13(8-6-12)15-11-14-9-3-2-4-10-14;1-11-4-6-12(7-5-11)14-10-13-8-2-3-9-13;1-7(10)9-5-3-8(2)4-6-9;1-8-6-7-2-4-9-5-3-7;1-8-6-7-4-2-3-5-7;1-5(2)4-6-3/h3-6H,7-10H2,1-2H3;5-8H,2-4,9-11H2,1H3;4-7H,2-3,8-10H2,1H3;3-6H2,1-2H3;2-6H2,1H3;2-6H2,1H3;4H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1092.57 g/mol, XLogP of 7.17, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158722862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).