1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine

C14H30N2 — CID 123267329

IUPAC1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine
SMILESCCN1C(C)CN(CCCC(C)C)CC1C
InChIInChI=1S/C14H30N2/c1-6-16-13(4)10-15(11-14(16)5)9-7-8-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyLJUFQSDIIOITGT-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.84
Rot. Bonds5

About 1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine

1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine (PubChem CID 123267329) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine.

Molecular Properties

Compound Name1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine
PubChem CID123267329
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine
SMILESCCN1C(C)CN(CCCC(C)C)CC1C
InChIInChI=1S/C14H30N2/c1-6-16-13(4)10-15(11-14(16)5)9-7-8-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyLJUFQSDIIOITGT-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine
CID 145194084
(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol
CID 83160990
4-butyl-1,2,6-trimethylpiperazine
CID 126991132
5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537725
1-[2-(4-methylpentyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 155750738
ethane;1-ethyl-2,4,6-trimethylpiperazine
CID 145006849
ethane;1-ethyl-2,4,6-trimethylpiperazine
CID 170737880
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537915
2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
CID 102936587
N-methyl-1-(4-methylpentyl)-N-(2-methylpropyl)piperidin-4-amine
CID 138728385
(1S,5R)-3-(5-methylhexyl)-8-(2-methyloctyl)-3,8-diazabicyclo[3.2.1]octane
CID 170040117

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine?
The IUPAC name of 1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine (CID 123267329) is 1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine.
What is the SMILES notation for 1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine?
The canonical SMILES for 1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine is CCN1C(C)CN(CCCC(C)C)CC1C.
What is the InChIKey of 1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine?
The InChIKey is LJUFQSDIIOITGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-16-13(4)10-15(11-14(16)5)9-7-8-12(2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine?
1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine is sourced from PubChem (CID 123267329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).