1-(2,6-dimethylheptan-2-yl)piperazine

C13H28N2 — CID 116931981

IUPAC1-(2,6-dimethylheptan-2-yl)piperazine
SMILESCC(C)CCCC(C)(C)N1CCNCC1
InChIInChI=1S/C13H28N2/c1-12(2)6-5-7-13(3,4)15-10-8-14-9-11-15/h12,14H,5-11H2,1-4H3
InChIKeyWDNHAFYDAYJKNE-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds5

About 1-(2,6-dimethylheptan-2-yl)piperazine

1-(2,6-dimethylheptan-2-yl)piperazine (PubChem CID 116931981) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(2,6-dimethylheptan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2,6-dimethylheptan-2-yl)piperazine
PubChem CID116931981
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(2,6-dimethylheptan-2-yl)piperazine
SMILESCC(C)CCCC(C)(C)N1CCNCC1
InChIInChI=1S/C13H28N2/c1-12(2)6-5-7-13(3,4)15-10-8-14-9-11-15/h12,14H,5-11H2,1-4H3
InChIKeyWDNHAFYDAYJKNE-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-methylhexan-2-yl)-1,4-diazepane
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1-(8-methylnonyl)piperazine
CID 170614920
1-[2-methyl-1-[4-(2-methylpropyl)phenyl]propan-2-yl]piperazine
CID 95477611
N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551253
2,4-dimethyl-4-piperazin-1-ylpentan-2-amine
CID 154551256
1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
CID 95477555
CID 163235314
CID 163235314
16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide
CID 141470628
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate
CID 61002266

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylheptan-2-yl)piperazine?
The IUPAC name of 1-(2,6-dimethylheptan-2-yl)piperazine (CID 116931981) is 1-(2,6-dimethylheptan-2-yl)piperazine.
What is the SMILES notation for 1-(2,6-dimethylheptan-2-yl)piperazine?
The canonical SMILES for 1-(2,6-dimethylheptan-2-yl)piperazine is CC(C)CCCC(C)(C)N1CCNCC1.
What is the InChIKey of 1-(2,6-dimethylheptan-2-yl)piperazine?
The InChIKey is WDNHAFYDAYJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2)6-5-7-13(3,4)15-10-8-14-9-11-15/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-(2,6-dimethylheptan-2-yl)piperazine?
1-(2,6-dimethylheptan-2-yl)piperazine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylheptan-2-yl)piperazine is sourced from PubChem (CID 116931981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).