2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine

C11H20N4 — CID 82870401

IUPAC2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCC1CNCC(C)N1Cc1ccn(C)n1
InChIInChI=1S/C11H20N4/c1-9-6-12-7-10(2)15(9)8-11-4-5-14(3)13-11/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyDGNALEOQHXDFSO-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.60
Rot. Bonds2

About 2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine

2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 82870401) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
PubChem CID82870401
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCC1CNCC(C)N1Cc1ccn(C)n1
InChIInChI=1S/C11H20N4/c1-9-6-12-7-10(2)15(9)8-11-4-5-14(3)13-11/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyDGNALEOQHXDFSO-UHFFFAOYSA-N
XLogP0.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine
CID 82868582
4,4-dimethyl-5-[(1-methylpyrazol-3-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 82870404
8-[(1-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 82874575
8-methyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871467
1-(azetidin-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116583711
2-[(2,6-dimethylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine
CID 63908866
1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile
CID 82868583
1-methyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 82872029
[4-[(2,6-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438168
(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine
CID 124660620
1-methyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 82870045
2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 120966976

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (CID 82870401) is 2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is CC1CNCC(C)N1Cc1ccn(C)n1.
What is the InChIKey of 2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is DGNALEOQHXDFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-6-12-7-10(2)15(9)8-11-4-5-14(3)13-11/h4-5,9-10,12H,6-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 208.31 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 82870401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).