1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine

C17H36N2 — CID 138647818

IUPAC1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine
SMILESCC(C)CN1CCN(CCC(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-15(2)14-19-12-10-18(11-13-19)9-8-17(6,7)16(3,4)5/h15H,8-14H2,1-7H3
InChIKeyDFSZLDVNABQJLA-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.72
Rot. Bonds5

About 1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine

1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine (PubChem CID 138647818) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine
PubChem CID138647818
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine
SMILESCC(C)CN1CCN(CCC(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-15(2)14-19-12-10-18(11-13-19)9-8-17(6,7)16(3,4)5/h15H,8-14H2,1-7H3
InChIKeyDFSZLDVNABQJLA-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282
N'-hydroxy-2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77063833
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide
CID 62778180
[4-(2-methylpropyl)piperazin-1-yl]methanol
CID 58575664
2-(ethylamino)-2-methyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 64787059
1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane
CID 159937529
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine (CID 138647818) is 1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine is CC(C)CN1CCN(CCC(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine?
The InChIKey is DFSZLDVNABQJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-15(2)14-19-12-10-18(11-13-19)9-8-17(6,7)16(3,4)5/h15H,8-14H2,1-7H3.
What are the key properties of 1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine?
1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine has a molecular weight of 268.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine is sourced from PubChem (CID 138647818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).