5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine

C14H23BrN4 — CID 104506611

IUPAC5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(N2CCC(CN(C)C)CC2)c1Br
InChIInChI=1S/C14H23BrN4/c1-10-12(16)8-17-14(13(10)15)19-6-4-11(5-7-19)9-18(2)3/h8,11H,4-7,9,16H2,1-3H3
InChIKeyJJPHYLCZYLBQCP-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.51
Rot. Bonds3

About 5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine

5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine (PubChem CID 104506611) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine
PubChem CID104506611
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(N2CCC(CN(C)C)CC2)c1Br
InChIInChI=1S/C14H23BrN4/c1-10-12(16)8-17-14(13(10)15)19-6-4-11(5-7-19)9-18(2)3/h8,11H,4-7,9,16H2,1-3H3
InChIKeyJJPHYLCZYLBQCP-UHFFFAOYSA-N
XLogP2.51
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methylpyridin-3-amine
CID 62477598
5-bromo-6-[3-(diethylamino)pyrrolidin-1-yl]-4-methylpyridin-3-amine
CID 104506822
5-bromo-6-(4-cyclopentylpiperazin-1-yl)-4-methylpyridin-3-amine
CID 104506751
5-bromo-4-methyl-6-morpholin-4-ylpyridin-3-amine
CID 104506171
5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
CID 103517907
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1H-imidazol-5-amine
CID 55012097
1-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 62672885
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine
CID 104507019
3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
CID 104506635
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
CID 54985825
5-bromo-4-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-3-amine
CID 113420482
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-bromo-4-methylpyridin-3-amine
CID 113420505

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine (CID 104506611) is 5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine is Cc1c(N)cnc(N2CCC(CN(C)C)CC2)c1Br.
What is the InChIKey of 5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine?
The InChIKey is JJPHYLCZYLBQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-10-12(16)8-17-14(13(10)15)19-6-4-11(5-7-19)9-18(2)3/h8,11H,4-7,9,16H2,1-3H3.
What are the key properties of 5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine?
5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine has a molecular weight of 327.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine is sourced from PubChem (CID 104506611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).