1-(4,5-dimethylhexan-2-yl)piperazine

C12H26N2 — CID 134335221

IUPAC1-(4,5-dimethylhexan-2-yl)piperazine
SMILESCC(C)C(C)CC(C)N1CCNCC1
InChIInChI=1S/C12H26N2/c1-10(2)11(3)9-12(4)14-7-5-13-6-8-14/h10-13H,5-9H2,1-4H3
InChIKeyUBQUHISVKHCMSG-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds4

About 1-(4,5-dimethylhexan-2-yl)piperazine

1-(4,5-dimethylhexan-2-yl)piperazine (PubChem CID 134335221) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(4,5-dimethylhexan-2-yl)piperazine.

Molecular Properties

Compound Name1-(4,5-dimethylhexan-2-yl)piperazine
PubChem CID134335221
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(4,5-dimethylhexan-2-yl)piperazine
SMILESCC(C)C(C)CC(C)N1CCNCC1
InChIInChI=1S/C12H26N2/c1-10(2)11(3)9-12(4)14-7-5-13-6-8-14/h10-13H,5-9H2,1-4H3
InChIKeyUBQUHISVKHCMSG-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine
CID 116913945
1-(1-iodopropan-2-yl)piperazine
CID 69349965
N,N-dimethyl-5-piperazin-1-ylhexan-3-amine
CID 116913942
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine
CID 164863385
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721
1-heptan-2-ylpiperazine
CID 61464712
1-(4-methylsulfanylbutan-2-yl)piperazine
CID 112703762
1-propan-2-ylpiperazine;vanadium
CID 162375922
1-(1-nitropropan-2-yl)piperazine
CID 157095570

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylhexan-2-yl)piperazine?
The IUPAC name of 1-(4,5-dimethylhexan-2-yl)piperazine (CID 134335221) is 1-(4,5-dimethylhexan-2-yl)piperazine.
What is the SMILES notation for 1-(4,5-dimethylhexan-2-yl)piperazine?
The canonical SMILES for 1-(4,5-dimethylhexan-2-yl)piperazine is CC(C)C(C)CC(C)N1CCNCC1.
What is the InChIKey of 1-(4,5-dimethylhexan-2-yl)piperazine?
The InChIKey is UBQUHISVKHCMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)11(3)9-12(4)14-7-5-13-6-8-14/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(4,5-dimethylhexan-2-yl)piperazine?
1-(4,5-dimethylhexan-2-yl)piperazine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylhexan-2-yl)piperazine is sourced from PubChem (CID 134335221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).