1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide

C8H19Br3N2 — CID 21397133

IUPAC1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide
SMILESBr.Br.CCC(Br)N1CCN(C)CC1
InChIInChI=1S/C8H17BrN2.2BrH/c1-3-8(9)11-6-4-10(2)5-7-11;;/h8H,3-7H2,1-2H3;2*1H
InChIKeyRKQOODXMVRGROV-UHFFFAOYSA-N
MW382.97 g/mol
LogP2.52
Rot. Bonds2

About 1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide

1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide (PubChem CID 21397133) has the molecular formula C8H19Br3N2 and a molecular weight of 382.97 g/mol. Its IUPAC name is 1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide.

Molecular Properties

Compound Name1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide
PubChem CID21397133
Molecular FormulaC8H19Br3N2
Molecular Weight382.97 g/mol
Exact Mass379.91
IUPAC Name1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide
SMILESBr.Br.CCC(Br)N1CCN(C)CC1
InChIInChI=1S/C8H17BrN2.2BrH/c1-3-8(9)11-6-4-10(2)5-7-11;;/h8H,3-7H2,1-2H3;2*1H
InChIKeyRKQOODXMVRGROV-UHFFFAOYSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.97
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide?
The IUPAC name of 1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide (CID 21397133) is 1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide.
What is the SMILES notation for 1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide?
The canonical SMILES for 1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide is Br.Br.CCC(Br)N1CCN(C)CC1.
What is the InChIKey of 1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide?
The InChIKey is RKQOODXMVRGROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrN2.2BrH/c1-3-8(9)11-6-4-10(2)5-7-11;;/h8H,3-7H2,1-2H3;2*1H.
What are the key properties of 1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide?
1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide has a molecular weight of 382.97 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropyl)-4-methylpiperazine;dihydrobromide is sourced from PubChem (CID 21397133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).