(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

C14H21BrN4O — CID 62952392

IUPAC(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H21BrN4O/c1-17(2)5-6-18-7-9-19(10-8-18)14(20)13-4-3-12(15)11-16-13/h3-4,11H,5-10H2,1-2H3
InChIKeyUTIRTKGTHIJGLV-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.16
Rot. Bonds4

About (5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 62952392) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
PubChem CID62952392
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H21BrN4O/c1-17(2)5-6-18-7-9-19(10-8-18)14(20)13-4-3-12(15)11-16-13/h3-4,11H,5-10H2,1-2H3
InChIKeyUTIRTKGTHIJGLV-UHFFFAOYSA-N
XLogP1.16
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 80666142
(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62953905
(5-aminopyrazin-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 107375502
2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336421
(4-bromo-2-hydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62890375
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
(6-chloro-3-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 60712392
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63525317
(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone
CID 68626889
(2-bromofuran-3-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 106853905
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
CID 120816364

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (CID 62952392) is (5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is CN(C)CCN1CCN(C(=O)c2ccc(Br)cn2)CC1.
What is the InChIKey of (5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The InChIKey is UTIRTKGTHIJGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-17(2)5-6-18-7-9-19(10-8-18)14(20)13-4-3-12(15)11-16-13/h3-4,11H,5-10H2,1-2H3.
What are the key properties of (5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 341.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 62952392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).