5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine

C17H20BrN3 — CID 133360054

IUPAC5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine
SMILESCc1cc(Br)cnc1NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H20BrN3/c1-13-11-14(18)12-19-17(13)20-15-7-9-21(10-8-15)16-5-3-2-4-6-16/h2-6,11-12,15H,7-10H2,1H3,(H,19,20)
InChIKeyGPLLRLVGNZNBEP-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.23
Rot. Bonds3

About 5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine

5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine (PubChem CID 133360054) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine
PubChem CID133360054
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine
SMILESCc1cc(Br)cnc1NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H20BrN3/c1-13-11-14(18)12-19-17(13)20-15-7-9-21(10-8-15)16-5-3-2-4-6-16/h2-6,11-12,15H,7-10H2,1H3,(H,19,20)
InChIKeyGPLLRLVGNZNBEP-UHFFFAOYSA-N
XLogP4.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]benzonitrile
CID 133360455
5-bromo-N-(1-ethylpiperidin-4-yl)-3-methylpyridin-2-amine
CID 79717567
5-bromo-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-3-methylpyridin-2-amine
CID 133373826
[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133373359
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 133360474
4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
N-(4-fluoro-3-methylphenyl)-1-phenylpiperidin-4-amine
CID 103892780
5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 103579990
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 113226644
N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103778023
5-bromo-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 53410205

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine (CID 133360054) is 5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine is Cc1cc(Br)cnc1NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is GPLLRLVGNZNBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-13-11-14(18)12-19-17(13)20-15-7-9-21(10-8-15)16-5-3-2-4-6-16/h2-6,11-12,15H,7-10H2,1H3,(H,19,20).
What are the key properties of 5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine?
5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 346.27 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(1-phenylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 133360054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).