1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide

C30H66N10 — CID 161435717

IUPAC1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NC)N1CCC(C)CC1.C/N=C(\NC)N1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C9H19N3.C8H18N4.C7H15N.C6H14N2/c1-8-4-6-12(7-5-8)9(10-2)11-3;1-9-8(10-2)12-6-4-11(3)5-7-12;2*1-7-3-5-8(2)6-4-7/h8H,4-7H2,1-3H3,(H,10,11);4-7H2,1-3H3,(H,9,10);7H,3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyVYPRUXIYGJLGIC-UHFFFAOYSA-N
MW566.93 g/mol
LogP1.57
Rot. Bonds

About 1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide

1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide (PubChem CID 161435717) has the molecular formula C30H66N10 and a molecular weight of 566.93 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide
PubChem CID161435717
Molecular FormulaC30H66N10
Molecular Weight566.93 g/mol
Exact Mass566.55
IUPAC Name1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NC)N1CCC(C)CC1.C/N=C(\NC)N1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C9H19N3.C8H18N4.C7H15N.C6H14N2/c1-8-4-6-12(7-5-8)9(10-2)11-3;1-9-8(10-2)12-6-4-11(3)5-7-12;2*1-7-3-5-8(2)6-4-7/h8H,4-7H2,1-3H3,(H,10,11);4-7H2,1-3H3,(H,9,10);7H,3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyVYPRUXIYGJLGIC-UHFFFAOYSA-N
XLogP1.57
TPSA68.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.93
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 86768469
acetamide;ethane;methanamine;bis(N-methylacetamide);1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
CID 160510205
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
N',4-dimethyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperidine-1-carboximidamide
CID 111497443
N',4-dimethyl-N-(3-methylsulfonylpropyl)piperidine-1-carboximidamide
CID 111211139
N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
CID 111210302
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
N',4-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211464
1,4-dimethylpiperidine;methane;1-(4-methylpiperidin-1-yl)ethenamine
CID 160512898
N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
CID 158426450
N-(2-ethylsulfonylethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210016

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide?
The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide (CID 161435717) is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide.
What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide?
The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide is C/N=C(\NC)N1CCC(C)CC1.C/N=C(\NC)N1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide?
The InChIKey is VYPRUXIYGJLGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3.C8H18N4.C7H15N.C6H14N2/c1-8-4-6-12(7-5-8)9(10-2)11-3;1-9-8(10-2)12-6-4-11(3)5-7-12;2*1-7-3-5-8(2)6-4-7/h8H,4-7H2,1-3H3,(H,10,11);4-7H2,1-3H3,(H,9,10);7H,3-6H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide?
1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide has a molecular weight of 566.93 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N',4-trimethylpiperazine-1-carboximidamide;N,N',4-trimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 161435717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).