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

C13H21BrN4 — CID 103517907

IUPAC5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
SMILESCN(C)CC1CCN(c2c(N)cncc2Br)CC1
InChIInChI=1S/C13H21BrN4/c1-17(2)9-10-3-5-18(6-4-10)13-11(14)7-16-8-12(13)15/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyTZYUQTIJALPEAO-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.20
Rot. Bonds3

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

5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine (PubChem CID 103517907) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
PubChem CID103517907
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
SMILESCN(C)CC1CCN(c2c(N)cncc2Br)CC1
InChIInChI=1S/C13H21BrN4/c1-17(2)9-10-3-5-18(6-4-10)13-11(14)7-16-8-12(13)15/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyTZYUQTIJALPEAO-UHFFFAOYSA-N
XLogP2.20
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
CID 54985825
5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine
CID 103517696
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 112695195
5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine
CID 103518144
2-[1-(3-amino-5-bromo-4-pyridinyl)pyrrolidin-3-yl]ethanol
CID 103518567
5-bromo-6-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpyridin-3-amine
CID 104506611
5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine
CID 103518287
1-(3-amino-5-bromo-4-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 103518270
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methylpyridin-3-amine
CID 62477598
1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol
CID 106667492
1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 63962807
1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 107081713

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine (CID 103517907) is 5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine is CN(C)CC1CCN(c2c(N)cncc2Br)CC1.
What is the InChIKey of 5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine?
The InChIKey is TZYUQTIJALPEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-17(2)9-10-3-5-18(6-4-10)13-11(14)7-16-8-12(13)15/h7-8,10H,3-6,9,15H2,1-2H3.
What are the key properties of 5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine?
5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine has a molecular weight of 313.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 103517907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).