2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine

C13H28N2 — CID 64934237

IUPAC2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine
SMILESCC(C)CC(C)N1CC(C)(C)NCC1C
InChIInChI=1S/C13H28N2/c1-10(2)7-11(3)15-9-13(5,6)14-8-12(15)4/h10-12,14H,7-9H2,1-6H3
InChIKeyWFIFKPJHBUUKAM-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds3

About 2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine

2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine (PubChem CID 64934237) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine
PubChem CID64934237
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine
SMILESCC(C)CC(C)N1CC(C)(C)NCC1C
InChIInChI=1S/C13H28N2/c1-10(2)7-11(3)15-9-13(5,6)14-8-12(15)4/h10-12,14H,7-9H2,1-6H3
InChIKeyWFIFKPJHBUUKAM-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine
CID 64839314
1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
CID 66242439
5-cyclopropyl-2,5-dimethyl-1-propan-2-ylpiperazine
CID 64875943
2,5,5-trimethyl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64946281
2-ethyl-5,5-dimethyl-1-pentan-2-ylpiperazine
CID 64931991
1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
CID 64948589
2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64839085
2-methyl-1-(2,5,5-trimethylpiperazin-1-yl)propan-1-one
CID 82241166
(2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride
CID 131020637
1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059
1-(3-ethylpentan-3-yl)-2,5,5-trimethylpiperazine
CID 65043445
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine?
The IUPAC name of 2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine (CID 64934237) is 2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine?
The canonical SMILES for 2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine is CC(C)CC(C)N1CC(C)(C)NCC1C.
What is the InChIKey of 2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine?
The InChIKey is WFIFKPJHBUUKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)7-11(3)15-9-13(5,6)14-8-12(15)4/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine?
2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine is sourced from PubChem (CID 64934237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).