2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine

C15H28N4 — CID 82870890

IUPAC2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCC(C)CC1CN(Cc2ccn(C)n2)C(C)(C)CN1
InChIInChI=1S/C15H28N4/c1-12(2)8-14-10-19(15(3,4)11-16-14)9-13-6-7-18(5)17-13/h6-7,12,14,16H,8-11H2,1-5H3
InChIKeyMIGDJQMJTIWMJG-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.02
Rot. Bonds4

About 2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine

2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 82870890) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
PubChem CID82870890
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
SMILESCC(C)CC1CN(Cc2ccn(C)n2)C(C)(C)CN1
InChIInChI=1S/C15H28N4/c1-12(2)8-14-10-19(15(3,4)11-16-14)9-13-6-7-18(5)17-13/h6-7,12,14,16H,8-11H2,1-5H3
InChIKeyMIGDJQMJTIWMJG-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848563
1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848565
1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 106870372
4,4-dimethyl-5-[(1-methylpyrazol-3-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 82870404
1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 82872305
8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871949
2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82872478
2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64847410
1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 113474537
2,2-dimethyl-1-(2-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64849914
1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
CID 82882511
1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine
CID 64847619

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine (CID 82870890) is 2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine is CC(C)CC1CN(Cc2ccn(C)n2)C(C)(C)CN1.
What is the InChIKey of 2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is MIGDJQMJTIWMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)8-14-10-19(15(3,4)11-16-14)9-13-6-7-18(5)17-13/h6-7,12,14,16H,8-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine?
2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 264.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 82870890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).