4-(4-bromobutyl)-2-ethyl-1-methylpiperazine

C11H23BrN2 — CID 63636075

IUPAC4-(4-bromobutyl)-2-ethyl-1-methylpiperazine
SMILESCCC1CN(CCCCBr)CCN1C
InChIInChI=1S/C11H23BrN2/c1-3-11-10-14(7-5-4-6-12)9-8-13(11)2/h11H,3-10H2,1-2H3
InChIKeyGRQPHTYDPGIECL-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.19
Rot. Bonds5

About 4-(4-bromobutyl)-2-ethyl-1-methylpiperazine

4-(4-bromobutyl)-2-ethyl-1-methylpiperazine (PubChem CID 63636075) has the molecular formula C11H23BrN2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-(4-bromobutyl)-2-ethyl-1-methylpiperazine.

Molecular Properties

Compound Name4-(4-bromobutyl)-2-ethyl-1-methylpiperazine
PubChem CID63636075
Molecular FormulaC11H23BrN2
Molecular Weight263.22 g/mol
Exact Mass262.10
IUPAC Name4-(4-bromobutyl)-2-ethyl-1-methylpiperazine
SMILESCCC1CN(CCCCBr)CCN1C
InChIInChI=1S/C11H23BrN2/c1-3-11-10-14(7-5-4-6-12)9-8-13(11)2/h11H,3-10H2,1-2H3
InChIKeyGRQPHTYDPGIECL-UHFFFAOYSA-N
XLogP2.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine
CID 63635899
5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine
CID 63608603
5-(3-ethyl-4-methylpiperazin-1-yl)-N-methylpentan-2-amine
CID 63611231
2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol
CID 64790790
N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63611055
6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295738
5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 65257902
4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine
CID 66474133
5-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpentan-2-amine
CID 63608601
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79360842
4-[2-(bromomethyl)-2-propylpentyl]-2-ethyl-1-methylpiperazine
CID 65005724
(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 103934660

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobutyl)-2-ethyl-1-methylpiperazine?
The IUPAC name of 4-(4-bromobutyl)-2-ethyl-1-methylpiperazine (CID 63636075) is 4-(4-bromobutyl)-2-ethyl-1-methylpiperazine.
What is the SMILES notation for 4-(4-bromobutyl)-2-ethyl-1-methylpiperazine?
The canonical SMILES for 4-(4-bromobutyl)-2-ethyl-1-methylpiperazine is CCC1CN(CCCCBr)CCN1C.
What is the InChIKey of 4-(4-bromobutyl)-2-ethyl-1-methylpiperazine?
The InChIKey is GRQPHTYDPGIECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2/c1-3-11-10-14(7-5-4-6-12)9-8-13(11)2/h11H,3-10H2,1-2H3.
What are the key properties of 4-(4-bromobutyl)-2-ethyl-1-methylpiperazine?
4-(4-bromobutyl)-2-ethyl-1-methylpiperazine has a molecular weight of 263.22 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobutyl)-2-ethyl-1-methylpiperazine is sourced from PubChem (CID 63636075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).