(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone

C14H20BrN3O — CID 103916743

IUPAC(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C14H20BrN3O/c1-14(2,3)18-9-7-17(8-10-18)13(19)11-5-4-6-12(15)16-11/h4-6H,7-10H2,1-3H3
InChIKeyJGOIRMDIKRXGLE-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.40
Rot. Bonds1

About (6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone

(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 103916743) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID103916743
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C14H20BrN3O/c1-14(2,3)18-9-7-17(8-10-18)13(19)11-5-4-6-12(15)16-11/h4-6H,7-10H2,1-3H3
InChIKeyJGOIRMDIKRXGLE-UHFFFAOYSA-N
XLogP2.40
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 58229734
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103874986
(6-bromo-2-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103917023
1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile
CID 113351440
(6-bromo-2-pyridinyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 103916899
(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 103916821
(6-bromo-2-pyridinyl)-(1,3-oxazinan-3-yl)methanone
CID 130522554
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
(6-aminopyridazin-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62186658
2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696809
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-bromo-2-pyridinyl)methanone
CID 113351404

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone (CID 103916743) is (6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone is CC(C)(C)N1CCN(C(=O)c2cccc(Br)n2)CC1.
What is the InChIKey of (6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is JGOIRMDIKRXGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-14(2,3)18-9-7-17(8-10-18)13(19)11-5-4-6-12(15)16-11/h4-6H,7-10H2,1-3H3.
What are the key properties of (6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone?
(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 326.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 103916743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).