1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine

C16H34N2 — CID 139518624

IUPAC1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine
SMILESCCCCCC(C)(CCC)N1CCN(C)C(C)C1
InChIInChI=1S/C16H34N2/c1-6-8-9-11-16(4,10-7-2)18-13-12-17(5)15(3)14-18/h15H,6-14H2,1-5H3
InChIKeyLLQYJZZHRJWYCX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.76
Rot. Bonds7

About 1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine

1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine (PubChem CID 139518624) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine.

Molecular Properties

Compound Name1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine
PubChem CID139518624
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine
SMILESCCCCCC(C)(CCC)N1CCN(C)C(C)C1
InChIInChI=1S/C16H34N2/c1-6-8-9-11-16(4,10-7-2)18-13-12-17(5)15(3)14-18/h15H,6-14H2,1-5H3
InChIKeyLLQYJZZHRJWYCX-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine?
The IUPAC name of 1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine (CID 139518624) is 1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine.
What is the SMILES notation for 1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine?
The canonical SMILES for 1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine is CCCCCC(C)(CCC)N1CCN(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine?
The InChIKey is LLQYJZZHRJWYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-8-9-11-16(4,10-7-2)18-13-12-17(5)15(3)14-18/h15H,6-14H2,1-5H3.
What are the key properties of 1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine?
1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine has a molecular weight of 254.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine is sourced from PubChem (CID 139518624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).