1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride

C13H21BrCl2N2O — CID 82021726

IUPAC1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride
SMILESCC(COc1ccc(Br)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H19BrN2O.2ClH/c1-11(16-8-6-15-7-9-16)10-17-13-4-2-12(14)3-5-13;;/h2-5,11,15H,6-10H2,1H3;2*1H
InChIKeyTUIMUNMMFNCQPR-UHFFFAOYSA-N
MW372.13 g/mol
LogP2.97
Rot. Bonds4

About 1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride

1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride (PubChem CID 82021726) has the molecular formula C13H21BrCl2N2O and a molecular weight of 372.13 g/mol. Its IUPAC name is 1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride
PubChem CID82021726
Molecular FormulaC13H21BrCl2N2O
Molecular Weight372.13 g/mol
Exact Mass370.02
IUPAC Name1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride
SMILESCC(COc1ccc(Br)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H19BrN2O.2ClH/c1-11(16-8-6-15-7-9-16)10-17-13-4-2-12(14)3-5-13;;/h2-5,11,15H,6-10H2,1H3;2*1H
InChIKeyTUIMUNMMFNCQPR-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.13
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021732
1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021730
1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171287082
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3428738
N-(4-bromophenyl)-3-piperazin-1-ylbutanamide
CID 84606772
1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
CID 82308912
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304455
2-(4-bromophenyl)-2-piperazin-1-ylethanamine
CID 82094058
1-[(2R)-1-(4-bromophenoxy)-3-methylbutan-2-yl]-4-methylpiperidine
CID 69361946
1-[4-(2-fluoropropoxy)phenyl]piperazine
CID 57025823
1-[1-(3-bromophenyl)propan-2-yl]piperazine
CID 82024249

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride?
The IUPAC name of 1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride (CID 82021726) is 1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride?
The canonical SMILES for 1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride is CC(COc1ccc(Br)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride?
The InChIKey is TUIMUNMMFNCQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O.2ClH/c1-11(16-8-6-15-7-9-16)10-17-13-4-2-12(14)3-5-13;;/h2-5,11,15H,6-10H2,1H3;2*1H.
What are the key properties of 1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride?
1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride has a molecular weight of 372.13 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride is sourced from PubChem (CID 82021726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).