1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine

C36H83N11 — CID 160619622

IUPAC1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCN(C)CC1.CNC1CCN(C)CC1.CNC1CCN(C)CC1.CNCC1CCN(C)CC1.CNCCN1CCN(C)CC1
InChIInChI=1S/C8H19N3.C8H18N2.2C7H16N2.C6H14N2/c1-9-3-4-11-7-5-10(2)6-8-11;1-9-7-8-3-5-10(2)6-4-8;2*1-8-7-3-5-9(2)6-4-7;1-7-3-5-8(2)6-4-7/h9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyRGNONCLIIVQHSO-UHFFFAOYSA-N
MW670.14 g/mol
LogP0.46
Rot. Bonds7

About 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine

1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 160619622) has the molecular formula C36H83N11 and a molecular weight of 670.14 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID160619622
Molecular FormulaC36H83N11
Molecular Weight670.14 g/mol
Exact Mass669.68
IUPAC Name1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCN(C)CC1.CNC1CCN(C)CC1.CNC1CCN(C)CC1.CNCC1CCN(C)CC1.CNCCN1CCN(C)CC1
InChIInChI=1S/C8H19N3.C8H18N2.2C7H16N2.C6H14N2/c1-9-3-4-11-7-5-10(2)6-8-11;1-9-7-8-3-5-10(2)6-4-8;2*1-8-7-3-5-9(2)6-4-7;1-7-3-5-8(2)6-4-7/h9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyRGNONCLIIVQHSO-UHFFFAOYSA-N
XLogP0.46
TPSA70.80 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.14
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine with MolForge

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Related Compounds

1-cyclohexyl-4-propan-2-ylpiperazine;N,N-diethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1-ethyl-4-propan-2-ylpiperazine;N-ethyl-1-propan-2-ylpiperidin-4-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;bis(4-methyl-1-propan-2-ylpiperidine);bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 158999970
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine;1-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 44148487
3-Piperazin-1-ylquinuclidine trihydrochloride hemihydrate
CID 53398988
2-Piperazin-1-yl-3-piperidin-1-yl-1-azabicyclo[2.2.2]octane
CID 53958455
1-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
Bis(1-azabicyclo[2.2.2]octan-3-amine);dihydrobromide
CID 69993132
34,35,36,37,38-Pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
CID 71156380
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 88787024
N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine
CID 90722711
N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 91250349
4-(2-Piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine
CID 134565670
N-[2-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
CID 140348178

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine (CID 160619622) is 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine is CN1CCN(C)CC1.CNC1CCN(C)CC1.CNC1CCN(C)CC1.CNCC1CCN(C)CC1.CNCCN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is RGNONCLIIVQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.C8H18N2.2C7H16N2.C6H14N2/c1-9-3-4-11-7-5-10(2)6-8-11;1-9-7-8-3-5-10(2)6-4-8;2*1-8-7-3-5-9(2)6-4-7;1-7-3-5-8(2)6-4-7/h9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 670.14 g/mol, XLogP of 0.46, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 160619622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).