1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide

C16H36Br2N2 — CID 3064078

IUPAC1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide
SMILESBr.Br.CC(C)CC(C)N1CCN(C(C)CC(C)C)CC1
InChIInChI=1S/C16H34N2.2BrH/c1-13(2)11-15(5)17-7-9-18(10-8-17)16(6)12-14(3)4;;/h13-16H,7-12H2,1-6H3;2*1H
InChIKeyLGFHRODCMJABLE-UHFFFAOYSA-N
MW416.29 g/mol
LogP4.63
Rot. Bonds6

About 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide

1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide (PubChem CID 3064078) has the molecular formula C16H36Br2N2 and a molecular weight of 416.29 g/mol. Its IUPAC name is 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide.

Molecular Properties

Compound Name1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide
PubChem CID3064078
Molecular FormulaC16H36Br2N2
Molecular Weight416.29 g/mol
Exact Mass414.12
IUPAC Name1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide
SMILESBr.Br.CC(C)CC(C)N1CCN(C(C)CC(C)C)CC1
InChIInChI=1S/C16H34N2.2BrH/c1-13(2)11-15(5)17-7-9-18(10-8-17)16(6)12-14(3)4;;/h13-16H,7-12H2,1-6H3;2*1H
InChIKeyLGFHRODCMJABLE-UHFFFAOYSA-N
XLogP4.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Bis(4-methylpentan-2-yl)piperazine
CID 3064079
2-Methyl-1,4-bis(3-methylbutyl)piperazine
CID 78897569
5-methyl-N-(3-methylbutyl)-N-(2-piperidin-1-ylethyl)hexan-1-amine
CID 15030039
3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine
CID 20705066
1-(2-Ethylbutyl)-4-propan-2-ylpiperazine
CID 21303251
1,2-Dimethyl-4-(2-methylpentyl)piperazine;ethane
CID 53631560
1-(2,5-Dimethylhexan-3-yl)-4-methylpiperazine
CID 58786624
N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 58807531
1-(4-Methylpentyl)-4-propan-2-ylpiperazine
CID 59222432
1-(4-Methylpentan-2-yl)-4-propylpiperazine
CID 59222436
1-Methyl-4-(4-methylpentan-2-yl)piperazine
CID 59222439
1-(4-Methylpentan-2-yl)-4-propan-2-ylpiperazine
CID 59222440

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide?
The IUPAC name of 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide (CID 3064078) is 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide.
What is the SMILES notation for 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide?
The canonical SMILES for 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide is Br.Br.CC(C)CC(C)N1CCN(C(C)CC(C)C)CC1.
What is the InChIKey of 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide?
The InChIKey is LGFHRODCMJABLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2.2BrH/c1-13(2)11-15(5)17-7-9-18(10-8-17)16(6)12-14(3)4;;/h13-16H,7-12H2,1-6H3;2*1H.
What are the key properties of 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide?
1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide has a molecular weight of 416.29 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide is sourced from PubChem (CID 3064078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).