2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine

C14H26N4 — CID 82871464

IUPAC2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCCC1(C)CNC(C)(C)CN1Cc1ccn(C)n1
InChIInChI=1S/C14H26N4/c1-6-14(4)10-15-13(2,3)11-18(14)9-12-7-8-17(5)16-12/h7-8,15H,6,9-11H2,1-5H3
InChIKeyCKZYHEKKPQWSKX-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.77
Rot. Bonds3

About 2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine

2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 82871464) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
PubChem CID82871464
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCCC1(C)CNC(C)(C)CN1Cc1ccn(C)n1
InChIInChI=1S/C14H26N4/c1-6-14(4)10-15-13(2,3)11-18(14)9-12-7-8-17(5)16-12/h7-8,15H,6,9-11H2,1-5H3
InChIKeyCKZYHEKKPQWSKX-UHFFFAOYSA-N
XLogP1.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261256
8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871949
3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
CID 82882602
3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-amine
CID 82871072
2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64838757
2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871948
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64842460
2-ethyl-2,5,5-trimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64838762
1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine
CID 82871073
3,3-diethyl-1-[(1-methylpyrazol-3-yl)methyl]-1,4-diazepane
CID 82870894
2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870772
5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82872161

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (CID 82871464) is 2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is CCC1(C)CNC(C)(C)CN1Cc1ccn(C)n1.
What is the InChIKey of 2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is CKZYHEKKPQWSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-14(4)10-15-13(2,3)11-18(14)9-12-7-8-17(5)16-12/h7-8,15H,6,9-11H2,1-5H3.
What are the key properties of 2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 250.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 82871464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).