2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine

C17H30N4 — CID 82872346

IUPAC2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCn1ccc(CN2CC(C)(C3CC3)NCC2C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-16(2,3)15-10-18-17(4,13-6-7-13)12-21(15)11-14-8-9-20(5)19-14/h8-9,13,15,18H,6-7,10-12H2,1-5H3
InChIKeyWLPXTJAKPRDJPZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.41
Rot. Bonds3

About 2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine

2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 82872346) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
PubChem CID82872346
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCn1ccc(CN2CC(C)(C3CC3)NCC2C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-16(2,3)15-10-18-17(4,13-6-7-13)12-21(15)11-14-8-9-20(5)19-14/h8-9,13,15,18H,6-7,10-12H2,1-5H3
InChIKeyWLPXTJAKPRDJPZ-UHFFFAOYSA-N
XLogP2.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870772
8-tert-butyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82872333
1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine
CID 64877528
2,5-diethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871948
8-methyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871467
2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170537
5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82872161
3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 82872339
5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107056009
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094
5-cyclopropyl-1-(2,2-dimethylpropyl)-5-methyl-2-phenylpiperazine
CID 64935717
1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 104812551

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine (CID 82872346) is 2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is Cn1ccc(CN2CC(C)(C3CC3)NCC2C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is WLPXTJAKPRDJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-16(2,3)15-10-18-17(4,13-6-7-13)12-21(15)11-14-8-9-20(5)19-14/h8-9,13,15,18H,6-7,10-12H2,1-5H3.
What are the key properties of 2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 82872346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).