1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine

C17H28BrN3 — CID 104812476

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
SMILESCCCC1CNC(CC(C)C)CN1Cc1cncc(Br)c1
InChIInChI=1S/C17H28BrN3/c1-4-5-17-10-20-16(6-13(2)3)12-21(17)11-14-7-15(18)9-19-8-14/h7-9,13,16-17,20H,4-6,10-12H2,1-3H3
InChIKeyBHKOVATUQSMUSB-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.83
Rot. Bonds6

About 1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine

1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine (PubChem CID 104812476) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
PubChem CID104812476
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
SMILESCCCC1CNC(CC(C)C)CN1Cc1cncc(Br)c1
InChIInChI=1S/C17H28BrN3/c1-4-5-17-10-20-16(6-13(2)3)12-21(17)11-14-7-15(18)9-19-8-14/h7-9,13,16-17,20H,4-6,10-12H2,1-3H3
InChIKeyBHKOVATUQSMUSB-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 104812478
5-(2-methylpropyl)-2-propyl-1-(pyridin-3-ylmethyl)piperazine
CID 64847577
1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
CID 64849116
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 104812552
5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64848923
5-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)-2-propylpiperazine
CID 64849887
5-(2-methylpropyl)-1-octyl-2-propylpiperazine
CID 64847186
1-(2-ethylhexyl)-5-(2-methylpropyl)-2-propylpiperazine
CID 64849696
5-[[2-(2-methylpropyl)-5-propylpiperazin-1-yl]methyl]-1,3-thiazole
CID 112644847
1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 64842505
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine (CID 104812476) is 1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine is CCCC1CNC(CC(C)C)CN1Cc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine?
The InChIKey is BHKOVATUQSMUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-4-5-17-10-20-16(6-13(2)3)12-21(17)11-14-7-15(18)9-19-8-14/h7-9,13,16-17,20H,4-6,10-12H2,1-3H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine?
1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine has a molecular weight of 354.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-5-(2-methylpropyl)-2-propylpiperazine is sourced from PubChem (CID 104812476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).