1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine

C13H20BrN3 — CID 106876604

IUPAC1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
SMILESCc1ccnc(N2CCC(N(C)C)CC2)c1Br
InChIInChI=1S/C13H20BrN3/c1-10-4-7-15-13(12(10)14)17-8-5-11(6-9-17)16(2)3/h4,7,11H,5-6,8-9H2,1-3H3
InChIKeyPBYWFKAVOCCRNL-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.68
Rot. Bonds2

About 1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine

1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 106876604) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
PubChem CID106876604
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
SMILESCc1ccnc(N2CCC(N(C)C)CC2)c1Br
InChIInChI=1S/C13H20BrN3/c1-10-4-7-15-13(12(10)14)17-8-5-11(6-9-17)16(2)3/h4,7,11H,5-6,8-9H2,1-3H3
InChIKeyPBYWFKAVOCCRNL-UHFFFAOYSA-N
XLogP2.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(4-chloropiperidin-1-yl)-4-methylpyridine
CID 106878850
[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 106876332
2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 106876147
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine
CID 106876171
1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257846
1-(3-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 106876419
1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 63174837
1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol
CID 106876353
1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-amine
CID 106879157
3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
CID 107057012
3-bromo-N,4-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 106876520

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine (CID 106876604) is 1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine is Cc1ccnc(N2CCC(N(C)C)CC2)c1Br.
What is the InChIKey of 1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is PBYWFKAVOCCRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-10-4-7-15-13(12(10)14)17-8-5-11(6-9-17)16(2)3/h4,7,11H,5-6,8-9H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine?
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 298.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 106876604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).