2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine

C15H28N4 — CID 103016327

IUPAC2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCc2cnn(C)c2)C(C)(C)CN1
InChIInChI=1S/C15H28N4/c1-12(2)14-10-19(15(3,4)11-16-14)7-6-13-8-17-18(5)9-13/h8-9,12,14,16H,6-7,10-11H2,1-5H3
InChIKeyDKDWOMATQOFITQ-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.67
Rot. Bonds4

About 2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine

2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine (PubChem CID 103016327) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
PubChem CID103016327
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CCc2cnn(C)c2)C(C)(C)CN1
InChIInChI=1S/C15H28N4/c1-12(2)14-10-19(15(3,4)11-16-14)7-6-13-8-17-18(5)9-13/h8-9,12,14,16H,6-7,10-11H2,1-5H3
InChIKeyDKDWOMATQOFITQ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64838670
7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 103016723
2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016319
1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
2,2-dimethyl-5-propan-2-yl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518832
2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine
CID 64876319
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839645
2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine
CID 64840227
2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 64838464
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016338
5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016459

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine (CID 103016327) is 2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine is CC(C)C1CN(CCc2cnn(C)c2)C(C)(C)CN1.
What is the InChIKey of 2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine?
The InChIKey is DKDWOMATQOFITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)14-10-19(15(3,4)11-16-14)7-6-13-8-17-18(5)9-13/h8-9,12,14,16H,6-7,10-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine?
2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine has a molecular weight of 264.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 103016327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).