1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine

C14H30N2 — CID 58786587

IUPAC1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine
SMILESCC(C)CC(CC(C)C)N1CCN(C)CC1
InChIInChI=1S/C14H30N2/c1-12(2)10-14(11-13(3)4)16-8-6-15(5)7-9-16/h12-14H,6-11H2,1-5H3
InChIKeyCBKNDQCDJKKKQT-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.69
Rot. Bonds5

About 1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine

1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine (PubChem CID 58786587) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine
PubChem CID58786587
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine
SMILESCC(C)CC(CC(C)C)N1CCN(C)CC1
InChIInChI=1S/C14H30N2/c1-12(2)10-14(11-13(3)4)16-8-6-15(5)7-9-16/h12-14H,6-11H2,1-5H3
InChIKeyCBKNDQCDJKKKQT-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine?
The IUPAC name of 1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine (CID 58786587) is 1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine is CC(C)CC(CC(C)C)N1CCN(C)CC1.
What is the InChIKey of 1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine?
The InChIKey is CBKNDQCDJKKKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)10-14(11-13(3)4)16-8-6-15(5)7-9-16/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine?
1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine has a molecular weight of 226.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine is sourced from PubChem (CID 58786587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).