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

C39H95N11 — CID 158938033

IUPAC1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);methane;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESC.C.C.CN1CCN(C)CC1.CNC1CCN(C)CC1.CNC1CCN(C)CC1.CNCC1CCN(C)CC1.CNCCN1CCN(C)CC1
InChIInChI=1S/C8H19N3.C8H18N2.2C7H16N2.C6H14N2.3CH4/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;3*1H4
InChIKeyJJWYAFDADGTJMM-UHFFFAOYSA-N
MW718.27 g/mol
LogP2.37
Rot. Bonds7

About 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);methane;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);methane;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 158938033) has the molecular formula C39H95N11 and a molecular weight of 718.27 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);methane;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);methane;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID158938033
Molecular FormulaC39H95N11
Molecular Weight718.27 g/mol
Exact Mass717.78
IUPAC Name1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);methane;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESC.C.C.CN1CCN(C)CC1.CNC1CCN(C)CC1.CNC1CCN(C)CC1.CNCC1CCN(C)CC1.CNCCN1CCN(C)CC1
InChIInChI=1S/C8H19N3.C8H18N2.2C7H16N2.C6H14N2.3CH4/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;3*1H4
InChIKeyJJWYAFDADGTJMM-UHFFFAOYSA-N
XLogP2.37
TPSA70.80 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.27
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);methane;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);methane;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine (CID 158938033) is 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);methane;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);methane;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);methane;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine is C.C.C.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);methane;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is JJWYAFDADGTJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.C8H18N2.2C7H16N2.C6H14N2.3CH4/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;3*1H4.
What are the key properties of 1,4-dimethylpiperazine;bis(N,1-dimethylpiperidin-4-amine);methane;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);methane;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 718.27 g/mol, XLogP of 2.37, 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);methane;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 158938033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).