1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine

C25H38Br3N5 — CID 159506452

IUPAC1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine
SMILESBrc1ccc(Br)nc1.CN(C)C1CCCCC1.CN(C)C1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C12H18BrN3.C8H17N.C5H3Br2N/c1-15(2)11-5-7-16(8-6-11)12-4-3-10(13)9-14-12;1-9(2)8-6-4-3-5-7-8;6-4-1-2-5(7)8-3-4/h3-4,9,11H,5-8H2,1-2H3;8H,3-7H2,1-2H3;1-3H
InChIKeyMAAZBWNZRMOCOE-UHFFFAOYSA-N
MW648.33 g/mol
LogP6.86
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine

1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine (PubChem CID 159506452) has the molecular formula C25H38Br3N5 and a molecular weight of 648.33 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine
PubChem CID159506452
Molecular FormulaC25H38Br3N5
Molecular Weight648.33 g/mol
Exact Mass645.07
IUPAC Name1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine
SMILESBrc1ccc(Br)nc1.CN(C)C1CCCCC1.CN(C)C1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C12H18BrN3.C8H17N.C5H3Br2N/c1-15(2)11-5-7-16(8-6-11)12-4-3-10(13)9-14-12;1-9(2)8-6-4-3-5-7-8;6-4-1-2-5(7)8-3-4/h3-4,9,11H,5-8H2,1-2H3;8H,3-7H2,1-2H3;1-3H
InChIKeyMAAZBWNZRMOCOE-UHFFFAOYSA-N
XLogP6.86
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.33
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine with MolForge

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Related Compounds

1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350
1-Phenyl-4-(6-(4-(pyridin-2-yl)piperazin-1-yl)hexyl)piperazine
CID 11704191
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
1-Pyridin-2-yl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperazine
CID 137635389
4-Bromo-2-piperidinopyridine
CID 4172707
5-Bromo-N-methyl-N-(propan-2-yl)pyridin-2-amine
CID 61373027
5-bromo-N,N-diethylpyridin-2-amine
CID 39247549
5-Bromo-2-(4-methylpiperazin-1-yl)pyridine
CID 16414206
N'-[3-[(4-bromophenyl)methyl-pyridin-2-ylamino]propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 18704974
N'-[3-[(4-bromophenyl)methyl-pyridin-2-ylamino]cyclopentyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 18704977
2-[3-[(4-Bromophenyl)methyl-pyridin-2-ylamino]propyl]-1-[3-(dimethylamino)propyl]-1-methylguanidine
CID 22118536
2-bromo-6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyridine
CID 102031817

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine (CID 159506452) is 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine is Brc1ccc(Br)nc1.CN(C)C1CCCCC1.CN(C)C1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine?
The InChIKey is MAAZBWNZRMOCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3.C8H17N.C5H3Br2N/c1-15(2)11-5-7-16(8-6-11)12-4-3-10(13)9-14-12;1-9(2)8-6-4-3-5-7-8;6-4-1-2-5(7)8-3-4/h3-4,9,11H,5-8H2,1-2H3;8H,3-7H2,1-2H3;1-3H.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine?
1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine has a molecular weight of 648.33 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;2,5-dibromopyridine;N,N-dimethylcyclohexanamine is sourced from PubChem (CID 159506452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).