[4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C14H18BrN3O2 — CID 86798010

IUPAC[4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2cc(Br)ccn2)CC1
InChIInChI=1S/C14H18BrN3O2/c15-11-3-4-16-13(10-11)17-5-7-18(8-6-17)14(19)12-2-1-9-20-12/h3-4,10,12H,1-2,5-9H2
InChIKeyDLYRMYYIFXXRCF-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.67
Rot. Bonds2

About [4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 86798010) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is [4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID86798010
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name[4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2cc(Br)ccn2)CC1
InChIInChI=1S/C14H18BrN3O2/c15-11-3-4-16-13(10-11)17-5-7-18(8-6-17)14(19)12-2-1-9-20-12/h3-4,10,12H,1-2,5-9H2
InChIKeyDLYRMYYIFXXRCF-UHFFFAOYSA-N
XLogP1.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 86798010) is [4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2cc(Br)ccn2)CC1.
What is the InChIKey of [4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is DLYRMYYIFXXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-11-3-4-16-13(10-11)17-5-7-18(8-6-17)14(19)12-2-1-9-20-12/h3-4,10,12H,1-2,5-9H2.
What are the key properties of [4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 340.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 86798010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).