1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine

C15H16BrFN4 — CID 165433120

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
SMILESFc1cccnc1N1CCN(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C15H16BrFN4/c16-13-8-12(9-18-10-13)11-20-4-6-21(7-5-20)15-14(17)2-1-3-19-15/h1-3,8-10H,4-7,11H2
InChIKeyHLRSIFTTWJWYIU-UHFFFAOYSA-N
MW351.22 g/mol
LogP2.70
Rot. Bonds3

About 1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine

1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine (PubChem CID 165433120) has the molecular formula C15H16BrFN4 and a molecular weight of 351.22 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
PubChem CID165433120
Molecular FormulaC15H16BrFN4
Molecular Weight351.22 g/mol
Exact Mass350.05
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
SMILESFc1cccnc1N1CCN(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C15H16BrFN4/c16-13-8-12(9-18-10-13)11-20-4-6-21(7-5-20)15-14(17)2-1-3-19-15/h1-3,8-10H,4-7,11H2
InChIKeyHLRSIFTTWJWYIU-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline
CID 166601671
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250
(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol
CID 97281064
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 115609180
1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 165435291
1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 68594989
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
3-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 62734905
2-[(5-bromo-3-pyridinyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 115617285
[4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate
CID 142647369

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine (CID 165433120) is 1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine is Fc1cccnc1N1CCN(Cc2cncc(Br)c2)CC1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
The InChIKey is HLRSIFTTWJWYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4/c16-13-8-12(9-18-10-13)11-20-4-6-21(7-5-20)15-14(17)2-1-3-19-15/h1-3,8-10H,4-7,11H2.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine?
1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine has a molecular weight of 351.22 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 165433120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).