N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine

C17H20BrN3 — CID 115656855

IUPACN-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
SMILESBrc1cncc(NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C17H20BrN3/c18-15-10-17(12-19-11-15)20-16-6-8-21(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-12,16,20H,6-9,13H2
InChIKeyJFHALCOGSGRXLV-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.92
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine

N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine (PubChem CID 115656855) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
PubChem CID115656855
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
SMILESBrc1cncc(NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C17H20BrN3/c18-15-10-17(12-19-11-15)20-16-6-8-21(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-12,16,20H,6-9,13H2
InChIKeyJFHALCOGSGRXLV-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone
CID 109223799
1-benzyl-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 43540095
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4035657
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine
CID 118997215
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
CID 75430820
5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine
CID 115922859

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine (CID 115656855) is N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine is Brc1cncc(NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine?
The InChIKey is JFHALCOGSGRXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c18-15-10-17(12-19-11-15)20-16-6-8-21(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-12,16,20H,6-9,13H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine?
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine has a molecular weight of 346.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine is sourced from PubChem (CID 115656855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).