N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

C13H20BrN3 — CID 71642200

IUPACN-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1ccnc(Br)c1)CC1CCCNC1
InChIInChI=1S/C13H20BrN3/c1-17(10-12-3-2-5-15-8-12)9-11-4-6-16-13(14)7-11/h4,6-7,12,15H,2-3,5,8-10H2,1H3
InChIKeyIMPZBJNGHMLPOE-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.28
Rot. Bonds4

About N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 71642200) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID71642200
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC NameN-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1ccnc(Br)c1)CC1CCCNC1
InChIInChI=1S/C13H20BrN3/c1-17(10-12-3-2-5-15-8-12)9-11-4-6-16-13(14)7-11/h4,6-7,12,15H,2-3,5,8-10H2,1H3
InChIKeyIMPZBJNGHMLPOE-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 97164520
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(2R)-piperidin-2-yl]methanamine
CID 97164232
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride
CID 71636545
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
N-methyl-N-[(5-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106636365
N-methyl-1-piperidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 119930674

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 71642200) is N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is CN(Cc1ccnc(Br)c1)CC1CCCNC1.
What is the InChIKey of N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is IMPZBJNGHMLPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-17(10-12-3-2-5-15-8-12)9-11-4-6-16-13(14)7-11/h4,6-7,12,15H,2-3,5,8-10H2,1H3.
What are the key properties of N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 298.23 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 71642200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).