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

C14H18BrF2N3 — CID 165431407

IUPAC1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine
SMILESFC1(F)CC(CN2CCN(c3ccc(Br)cn3)CC2)C1
InChIInChI=1S/C14H18BrF2N3/c15-12-1-2-13(18-9-12)20-5-3-19(4-6-20)10-11-7-14(16,17)8-11/h1-2,9,11H,3-8,10H2
InChIKeyWTUNDICJEWSCIR-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.01
Rot. Bonds3

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

1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine (PubChem CID 165431407) has the molecular formula C14H18BrF2N3 and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine
PubChem CID165431407
Molecular FormulaC14H18BrF2N3
Molecular Weight346.22 g/mol
Exact Mass345.07
IUPAC Name1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine
SMILESFC1(F)CC(CN2CCN(c3ccc(Br)cn3)CC2)C1
InChIInChI=1S/C14H18BrF2N3/c15-12-1-2-13(18-9-12)20-5-3-19(4-6-20)10-11-7-14(16,17)8-11/h1-2,9,11H,3-8,10H2
InChIKeyWTUNDICJEWSCIR-UHFFFAOYSA-N
XLogP3.01
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
tert-butyl 4-[[1-(5-bromo-2-pyridinyl)azetidin-3-yl]methyl]piperazine-1-carboxylate
CID 156558767
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridin-3-ol
CID 171356053
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
3-[4-(5-bromo-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870254
1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
CID 112823407
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl acetate
CID 91886723
[1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 172880789
5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine
CID 71967664
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine (CID 165431407) is 1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine is FC1(F)CC(CN2CCN(c3ccc(Br)cn3)CC2)C1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine?
The InChIKey is WTUNDICJEWSCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N3/c15-12-1-2-13(18-9-12)20-5-3-19(4-6-20)10-11-7-14(16,17)8-11/h1-2,9,11H,3-8,10H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine?
1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine has a molecular weight of 346.22 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine is sourced from PubChem (CID 165431407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).