1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine

C17H27BrN2O — CID 171310767

IUPAC1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
SMILESCOc1ccc(Br)cc1[C@@H](CCC(C)C)N1CCNCC1
InChIInChI=1S/C17H27BrN2O/c1-13(2)4-6-16(20-10-8-19-9-11-20)15-12-14(18)5-7-17(15)21-3/h5,7,12-13,16,19H,4,6,8-11H2,1-3H3/t16-/m1/s1
InChIKeyXXEYWIDPVBKZFA-MRXNPFEDSA-N
MW355.32 g/mol
LogP3.84
Rot. Bonds6

About 1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine

1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine (PubChem CID 171310767) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
PubChem CID171310767
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
SMILESCOc1ccc(Br)cc1[C@@H](CCC(C)C)N1CCNCC1
InChIInChI=1S/C17H27BrN2O/c1-13(2)4-6-16(20-10-8-19-9-11-20)15-12-14(18)5-7-17(15)21-3/h5,7,12-13,16,19H,4,6,8-11H2,1-3H3/t16-/m1/s1
InChIKeyXXEYWIDPVBKZFA-MRXNPFEDSA-N
XLogP3.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939
1-[(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethyl]piperazine
CID 171181757
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311326
1-[(1S)-1-(5-bromo-2-chlorophenyl)-4-methylpentyl]piperazine
CID 171310107
1-[(1S)-1-(5-bromo-2-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163473
5-bromo-2-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310144
1-[(1S)-1-(5-bromo-2-ethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171278491
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310391
1-[(1R)-1-(4-bromo-3,5-dimethoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310798
1-[(1S)-1-[5-bromo-2-(trifluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171165667
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310148
1-[(1R)-1-(4-methoxynaphthalen-1-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311328

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine (CID 171310767) is 1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine is COc1ccc(Br)cc1[C@@H](CCC(C)C)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine?
The InChIKey is XXEYWIDPVBKZFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-13(2)4-6-16(20-10-8-19-9-11-20)15-12-14(18)5-7-17(15)21-3/h5,7,12-13,16,19H,4,6,8-11H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine?
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine has a molecular weight of 355.32 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171310767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).