1-(3-bromopropyl)-4-ethylpiperazine

C9H19BrN2 — CID 61287316

IUPAC1-(3-bromopropyl)-4-ethylpiperazine
SMILESCCN1CCN(CCCBr)CC1
InChIInChI=1S/C9H19BrN2/c1-2-11-6-8-12(9-7-11)5-3-4-10/h2-9H2,1H3
InChIKeyNITRMRFTONGZPR-UHFFFAOYSA-N
MW235.17 g/mol
LogP1.41
Rot. Bonds4

About 1-(3-bromopropyl)-4-ethylpiperazine

1-(3-bromopropyl)-4-ethylpiperazine (PubChem CID 61287316) has the molecular formula C9H19BrN2 and a molecular weight of 235.17 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(3-bromopropyl)-4-ethylpiperazine
PubChem CID61287316
Molecular FormulaC9H19BrN2
Molecular Weight235.17 g/mol
Exact Mass234.07
IUPAC Name1-(3-bromopropyl)-4-ethylpiperazine
SMILESCCN1CCN(CCCBr)CC1
InChIInChI=1S/C9H19BrN2/c1-2-11-6-8-12(9-7-11)5-3-4-10/h2-9H2,1H3
InChIKeyNITRMRFTONGZPR-UHFFFAOYSA-N
XLogP1.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-4-ethylpiperazine?
The IUPAC name of 1-(3-bromopropyl)-4-ethylpiperazine (CID 61287316) is 1-(3-bromopropyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(3-bromopropyl)-4-ethylpiperazine?
The canonical SMILES for 1-(3-bromopropyl)-4-ethylpiperazine is CCN1CCN(CCCBr)CC1.
What is the InChIKey of 1-(3-bromopropyl)-4-ethylpiperazine?
The InChIKey is NITRMRFTONGZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2/c1-2-11-6-8-12(9-7-11)5-3-4-10/h2-9H2,1H3.
What are the key properties of 1-(3-bromopropyl)-4-ethylpiperazine?
1-(3-bromopropyl)-4-ethylpiperazine has a molecular weight of 235.17 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4-ethylpiperazine is sourced from PubChem (CID 61287316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).