1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine

C12H23BrN2O — CID 80673810

IUPAC1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
SMILESBrCCN1CCN(CCC2CCCO2)CC1
InChIInChI=1S/C12H23BrN2O/c13-4-6-15-9-7-14(8-10-15)5-3-12-2-1-11-16-12/h12H,1-11H2
InChIKeyUBJUPSXMNBIDSG-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.57
Rot. Bonds5

About 1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine

1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine (PubChem CID 80673810) has the molecular formula C12H23BrN2O and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
PubChem CID80673810
Molecular FormulaC12H23BrN2O
Molecular Weight291.23 g/mol
Exact Mass290.10
IUPAC Name1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
SMILESBrCCN1CCN(CCC2CCCO2)CC1
InChIInChI=1S/C12H23BrN2O/c13-4-6-15-9-7-14(8-10-15)5-3-12-2-1-11-16-12/h12H,1-11H2
InChIKeyUBJUPSXMNBIDSG-UHFFFAOYSA-N
XLogP1.57
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158558
5-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]pentan-1-amine
CID 65158754
1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde
CID 65165774
N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide
CID 77057944
2-(3-bromopropyl)oxolane
CID 15783712
N-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 65160866
2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158752
3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine
CID 65165784
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine?
The IUPAC name of 1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine (CID 80673810) is 1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine is BrCCN1CCN(CCC2CCCO2)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine?
The InChIKey is UBJUPSXMNBIDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O/c13-4-6-15-9-7-14(8-10-15)5-3-12-2-1-11-16-12/h12H,1-11H2.
What are the key properties of 1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine?
1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine has a molecular weight of 291.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine is sourced from PubChem (CID 80673810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).