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

C17H24N4 — CID 64840112

IUPAC5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
SMILESCn1cc(CN2CC(C)(C)NCC2c2ccccc2)cn1
InChIInChI=1S/C17H24N4/c1-17(2)13-21(12-14-9-19-20(3)11-14)16(10-18-17)15-7-5-4-6-8-15/h4-9,11,16,18H,10,12-13H2,1-3H3
InChIKeyULIUBQTUVQMMRR-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.35
Rot. Bonds3

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

5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine (PubChem CID 64840112) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine.

Molecular Properties

Compound Name5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
PubChem CID64840112
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
SMILESCn1cc(CN2CC(C)(C)NCC2c2ccccc2)cn1
InChIInChI=1S/C17H24N4/c1-17(2)13-21(12-14-9-19-20(3)11-14)16(10-18-17)15-7-5-4-6-8-15/h4-9,11,16,18H,10,12-13H2,1-3H3
InChIKeyULIUBQTUVQMMRR-UHFFFAOYSA-N
XLogP2.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine?
The IUPAC name of 5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine (CID 64840112) is 5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine.
What is the SMILES notation for 5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine?
The canonical SMILES for 5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine is Cn1cc(CN2CC(C)(C)NCC2c2ccccc2)cn1.
What is the InChIKey of 5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine?
The InChIKey is ULIUBQTUVQMMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(2)13-21(12-14-9-19-20(3)11-14)16(10-18-17)15-7-5-4-6-8-15/h4-9,11,16,18H,10,12-13H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine?
5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine has a molecular weight of 284.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine is sourced from PubChem (CID 64840112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).