1-(1-bromopropyl)-4-methylpiperazine

C8H17BrN2 — CID 21397134

IUPAC1-(1-bromopropyl)-4-methylpiperazine
SMILESCCC(Br)N1CCN(C)CC1
InChIInChI=1S/C8H17BrN2/c1-3-8(9)11-6-4-10(2)5-7-11/h8H,3-7H2,1-2H3
InChIKeyMIAMESCLWCXJLE-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.36
Rot. Bonds2

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

1-(1-bromopropyl)-4-methylpiperazine (PubChem CID 21397134) has the molecular formula C8H17BrN2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 1-(1-bromopropyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-bromopropyl)-4-methylpiperazine
PubChem CID21397134
Molecular FormulaC8H17BrN2
Molecular Weight221.14 g/mol
Exact Mass220.06
IUPAC Name1-(1-bromopropyl)-4-methylpiperazine
SMILESCCC(Br)N1CCN(C)CC1
InChIInChI=1S/C8H17BrN2/c1-3-8(9)11-6-4-10(2)5-7-11/h8H,3-7H2,1-2H3
InChIKeyMIAMESCLWCXJLE-UHFFFAOYSA-N
XLogP1.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.36
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?
The IUPAC name of 1-(1-bromopropyl)-4-methylpiperazine (CID 21397134) is 1-(1-bromopropyl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-bromopropyl)-4-methylpiperazine?
The canonical SMILES for 1-(1-bromopropyl)-4-methylpiperazine is CCC(Br)N1CCN(C)CC1.
What is the InChIKey of 1-(1-bromopropyl)-4-methylpiperazine?
The InChIKey is MIAMESCLWCXJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrN2/c1-3-8(9)11-6-4-10(2)5-7-11/h8H,3-7H2,1-2H3.
What are the key properties of 1-(1-bromopropyl)-4-methylpiperazine?
1-(1-bromopropyl)-4-methylpiperazine has a molecular weight of 221.14 g/mol, XLogP of 1.36, 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 is sourced from PubChem (CID 21397134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).