2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

C12H22N4 — CID 64839289

IUPAC2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCC1CNC(C)(C)CN1Cc1cnn(C)c1
InChIInChI=1S/C12H22N4/c1-10-5-13-12(2,3)9-16(10)8-11-6-14-15(4)7-11/h6-7,10,13H,5,8-9H2,1-4H3
InChIKeyPJIKJWDDOQEUQW-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.99
Rot. Bonds2

About 2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 64839289) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID64839289
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCC1CNC(C)(C)CN1Cc1cnn(C)c1
InChIInChI=1S/C12H22N4/c1-10-5-13-12(2,3)9-16(10)8-11-6-14-15(4)7-11/h6-7,10,13H,5,8-9H2,1-4H3
InChIKeyPJIKJWDDOQEUQW-UHFFFAOYSA-N
XLogP0.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094
2-cyclopropyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839337
5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
CID 64840112
3-ethyl-3,7-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64871624
1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
CID 65491363
5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole
CID 106376719
2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64877873
2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861983
4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64876848
5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861803
2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 64946588
1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 102862477

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (CID 64839289) is 2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is CC1CNC(C)(C)CN1Cc1cnn(C)c1.
What is the InChIKey of 2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is PJIKJWDDOQEUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-5-13-12(2,3)9-16(10)8-11-6-14-15(4)7-11/h6-7,10,13H,5,8-9H2,1-4H3.
What are the key properties of 2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 222.34 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 64839289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).