1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine

C18H29BrN2O — CID 170863712

IUPAC1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine
SMILESCC(C)COc1ccc(Br)cc1CCCN1CCN(C)CC1
InChIInChI=1S/C18H29BrN2O/c1-15(2)14-22-18-7-6-17(19)13-16(18)5-4-8-21-11-9-20(3)10-12-21/h6-7,13,15H,4-5,8-12,14H2,1-3H3
InChIKeyUGEMRIPCVOZBCR-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.66
Rot. Bonds7

About 1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine

1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine (PubChem CID 170863712) has the molecular formula C18H29BrN2O and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine
PubChem CID170863712
Molecular FormulaC18H29BrN2O
Molecular Weight369.35 g/mol
Exact Mass368.15
IUPAC Name1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine
SMILESCC(C)COc1ccc(Br)cc1CCCN1CCN(C)CC1
InChIInChI=1S/C18H29BrN2O/c1-15(2)14-22-18-7-6-17(19)13-16(18)5-4-8-21-11-9-20(3)10-12-21/h6-7,13,15H,4-5,8-12,14H2,1-3H3
InChIKeyUGEMRIPCVOZBCR-UHFFFAOYSA-N
XLogP3.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
4-bromo-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862276
1-[4-(4-bromo-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride
CID 2996696
1-[3-(4-bromo-2-methylphenoxy)propyl]-4-methylpiperazine
CID 2296492
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperazine
CID 2299895
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine
CID 2994821
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862894
[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium
CID 7366809
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870233

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine (CID 170863712) is 1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine is CC(C)COc1ccc(Br)cc1CCCN1CCN(C)CC1.
What is the InChIKey of 1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine?
The InChIKey is UGEMRIPCVOZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2O/c1-15(2)14-22-18-7-6-17(19)13-16(18)5-4-8-21-11-9-20(3)10-12-21/h6-7,13,15H,4-5,8-12,14H2,1-3H3.
What are the key properties of 1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine?
1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine has a molecular weight of 369.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).