1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine

C23H44N6 — CID 167693775

IUPAC1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCC1CCN(C)C1.CN1CCN(C)CC1.CN1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C11H17N3.C6H14N2.C6H13N/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6/h2-4,9H,5-8,10H2,1H3;3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyXINZEWGUFROYGD-UHFFFAOYSA-N
MW404.65 g/mol
LogP1.65
Rot. Bonds2

About 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine

1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 167693775) has the molecular formula C23H44N6 and a molecular weight of 404.65 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
PubChem CID167693775
Molecular FormulaC23H44N6
Molecular Weight404.65 g/mol
Exact Mass404.36
IUPAC Name1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
SMILESCC1CCN(C)C1.CN1CCN(C)CC1.CN1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C11H17N3.C6H14N2.C6H13N/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6/h2-4,9H,5-8,10H2,1H3;3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyXINZEWGUFROYGD-UHFFFAOYSA-N
XLogP1.65
TPSA29.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 124856003
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine
CID 828666
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 112721039
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 54977770
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 796541
(4-methylpiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone;oxalic acid
CID 126468803

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine (CID 167693775) is 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine is CC1CCN(C)C1.CN1CCN(C)CC1.CN1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is XINZEWGUFROYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C6H14N2.C6H13N/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6/h2-4,9H,5-8,10H2,1H3;3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine?
1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 404.65 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 167693775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).