1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine

C15H23BrN2O — CID 64832801

IUPAC1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine
SMILESCCCC1CN(CCOc2ccc(Br)cc2)CCN1
InChIInChI=1S/C15H23BrN2O/c1-2-3-14-12-18(9-8-17-14)10-11-19-15-6-4-13(16)5-7-15/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyLGSPCUIPZOTJJQ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.90
Rot. Bonds6

About 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine

1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine (PubChem CID 64832801) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine
PubChem CID64832801
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine
SMILESCCCC1CN(CCOc2ccc(Br)cc2)CCN1
InChIInChI=1S/C15H23BrN2O/c1-2-3-14-12-18(9-8-17-14)10-11-19-15-6-4-13(16)5-7-15/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyLGSPCUIPZOTJJQ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
CID 65448827
1-(4-bromophenyl)-3-propylpiperazine
CID 64925281
1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine
CID 64832830
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
3-[2-(4-bromophenoxy)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79090456
1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine
CID 107854185
1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915
1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine
CID 61224076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine (CID 64832801) is 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine is CCCC1CN(CCOc2ccc(Br)cc2)CCN1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine?
The InChIKey is LGSPCUIPZOTJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-3-14-12-18(9-8-17-14)10-11-19-15-6-4-13(16)5-7-15/h4-7,14,17H,2-3,8-12H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine?
1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine has a molecular weight of 327.27 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine is sourced from PubChem (CID 64832801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).