2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

C15H28N4 — CID 64840094

IUPAC2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCn1cc(CN2CC(C)(C)NCC2C(C)(C)C)cn1
InChIInChI=1S/C15H28N4/c1-14(2,3)13-8-16-15(4,5)11-19(13)10-12-7-17-18(6)9-12/h7,9,13,16H,8,10-11H2,1-6H3
InChIKeyLYTYFBUJQKYXIA-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.02
Rot. Bonds2

About 2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine

2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 64840094) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID64840094
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCn1cc(CN2CC(C)(C)NCC2C(C)(C)C)cn1
InChIInChI=1S/C15H28N4/c1-14(2,3)13-8-16-15(4,5)11-19(13)10-12-7-17-18(6)9-12/h7,9,13,16H,8,10-11H2,1-6H3
InChIKeyLYTYFBUJQKYXIA-UHFFFAOYSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839289
2-cyclopropyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839337
5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
CID 64840112
2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64842153
2-tert-butyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64839737
2-tert-butyl-1-[(2-chloro-4-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839722
2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839540
5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861803
2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine
CID 64861984
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-tert-butyl-5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870772

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (CID 64840094) is 2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is Cn1cc(CN2CC(C)(C)NCC2C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is LYTYFBUJQKYXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-14(2,3)13-8-16-15(4,5)11-19(13)10-12-7-17-18(6)9-12/h7,9,13,16H,8,10-11H2,1-6H3.
What are the key properties of 2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 264.42 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 64840094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).