N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine

C16H19BrN4 — CID 115937851

IUPACN-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESBrc1cccc(CNC2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C16H19BrN4/c17-15-5-3-4-14(20-15)12-19-13-7-10-21(11-8-13)16-6-1-2-9-18-16/h1-6,9,13,19H,7-8,10-12H2
InChIKeyHPCNBVSGDLIYDN-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.00
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine

N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 115937851) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID115937851
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESBrc1cccc(CNC2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C16H19BrN4/c17-15-5-3-4-14(20-15)12-19-13-7-10-21(11-8-13)16-6-1-2-9-18-16/h1-6,9,13,19H,7-8,10-12H2
InChIKeyHPCNBVSGDLIYDN-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 124623272
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 62084118
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456
N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675369
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 102673300
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675359
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675354
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 103275609
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine (CID 115937851) is N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine is Brc1cccc(CNC2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is HPCNBVSGDLIYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c17-15-5-3-4-14(20-15)12-19-13-7-10-21(11-8-13)16-6-1-2-9-18-16/h1-6,9,13,19H,7-8,10-12H2.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 347.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 115937851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).