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

C15H28N4 — CID 64861803

IUPAC5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCC1(CC)CN(Cc2cnn(C)c2)C(C)(C)CN1
InChIInChI=1S/C15H28N4/c1-6-15(7-2)12-19(14(3,4)11-16-15)10-13-8-17-18(5)9-13/h8-9,16H,6-7,10-12H2,1-5H3
InChIKeyNRZVKYVUUAIILO-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.16
Rot. Bonds4

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

5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 64861803) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID64861803
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCC1(CC)CN(Cc2cnn(C)c2)C(C)(C)CN1
InChIInChI=1S/C15H28N4/c1-6-15(7-2)12-19(14(3,4)11-16-15)10-13-8-17-18(5)9-13/h8-9,16H,6-7,10-12H2,1-5H3
InChIKeyNRZVKYVUUAIILO-UHFFFAOYSA-N
XLogP2.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine
CID 64861798
5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 102879645
3,3-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64870349
5,5-diethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261770
1-[(3-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 64862571
2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861983
5,5-diethyl-2,2-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982543
5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861609
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094
2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine
CID 64876319
2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839289
8-cyclopropyl-8-methyl-6-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64860600

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (CID 64861803) is 5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is CCC1(CC)CN(Cc2cnn(C)c2)C(C)(C)CN1.
What is the InChIKey of 5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is NRZVKYVUUAIILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-15(7-2)12-19(14(3,4)11-16-15)10-13-8-17-18(5)9-13/h8-9,16H,6-7,10-12H2,1-5H3.
What are the key properties of 5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 264.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 64861803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).