1-(2-bromoethyl)-4-propan-2-ylpiperazine

C9H19BrN2 — CID 53415431

IUPAC1-(2-bromoethyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCBr)CC1
InChIInChI=1S/C9H19BrN2/c1-9(2)12-7-5-11(4-3-10)6-8-12/h9H,3-8H2,1-2H3
InChIKeySHWZQRPRGHDKKN-UHFFFAOYSA-N
MW235.17 g/mol
LogP1.41
Rot. Bonds3

About 1-(2-bromoethyl)-4-propan-2-ylpiperazine

1-(2-bromoethyl)-4-propan-2-ylpiperazine (PubChem CID 53415431) has the molecular formula C9H19BrN2 and a molecular weight of 235.17 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-propan-2-ylpiperazine
PubChem CID53415431
Molecular FormulaC9H19BrN2
Molecular Weight235.17 g/mol
Exact Mass234.07
IUPAC Name1-(2-bromoethyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCBr)CC1
InChIInChI=1S/C9H19BrN2/c1-9(2)12-7-5-11(4-3-10)6-8-12/h9H,3-8H2,1-2H3
InChIKeySHWZQRPRGHDKKN-UHFFFAOYSA-N
XLogP1.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
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1-pent-4-ynyl-4-propan-2-ylpiperazine
CID 90177034
1-(2-bromoethyl)-4-pentan-2-yl-1,4-diazepane
CID 107887476
1-(2-bromoethyl)-4-(2-methylbutyl)piperazine
CID 80674253
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
2-[[4-(2-bromoethyl)-1,4-diazepan-1-yl]methyl]-4-propan-2-ylmorpholine
CID 80667744
2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
CID 62433428
1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 106457754

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2-bromoethyl)-4-propan-2-ylpiperazine (CID 53415431) is 1-(2-bromoethyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-propan-2-ylpiperazine?
The InChIKey is SHWZQRPRGHDKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2/c1-9(2)12-7-5-11(4-3-10)6-8-12/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-bromoethyl)-4-propan-2-ylpiperazine?
1-(2-bromoethyl)-4-propan-2-ylpiperazine has a molecular weight of 235.17 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 53415431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).