2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

C17H30N4 — CID 64877873

IUPAC2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCC(C)C1CNC(C)(C2CC2)CN1Cc1cnn(C)c1
InChIInChI=1S/C17H30N4/c1-5-13(2)16-9-18-17(3,15-6-7-15)12-21(16)11-14-8-19-20(4)10-14/h8,10,13,15-16,18H,5-7,9,11-12H2,1-4H3
InChIKeyLBMWIHHJCSQMTM-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.41
Rot. Bonds5

About 2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 64877873) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID64877873
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCC(C)C1CNC(C)(C2CC2)CN1Cc1cnn(C)c1
InChIInChI=1S/C17H30N4/c1-5-13(2)16-9-18-17(3,15-6-7-15)12-21(16)11-14-8-19-20(4)10-14/h8,10,13,15-16,18H,5-7,9,11-12H2,1-4H3
InChIKeyLBMWIHHJCSQMTM-UHFFFAOYSA-N
XLogP2.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-butan-2-yl-5-cyclopropyl-5-methyl-1-propylpiperazine
CID 64876547
2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine
CID 107056008
5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64941949
5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64876545
2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine
CID 106440507
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
3-ethyl-3,7-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64871624
2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861983
2-cyclopropyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839337
3-cyclopropyl-3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 103016188
2-butan-2-yl-1-[(4-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837770

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (CID 64877873) is 2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is CCC(C)C1CNC(C)(C2CC2)CN1Cc1cnn(C)c1.
What is the InChIKey of 2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is LBMWIHHJCSQMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-13(2)16-9-18-17(3,15-6-7-15)12-21(16)11-14-8-19-20(4)10-14/h8,10,13,15-16,18H,5-7,9,11-12H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 64877873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).