5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine

C13H20BrN3 — CID 114194260

IUPAC5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
SMILESCCN(CC1CCCNC1)c1cncc(Br)c1
InChIInChI=1S/C13H20BrN3/c1-2-17(10-11-4-3-5-15-7-11)13-6-12(14)8-16-9-13/h6,8-9,11,15H,2-5,7,10H2,1H3
InChIKeyLDXGKNNOHXIXPC-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.67
Rot. Bonds4

About 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine

5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine (PubChem CID 114194260) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
PubChem CID114194260
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
SMILESCCN(CC1CCCNC1)c1cncc(Br)c1
InChIInChI=1S/C13H20BrN3/c1-2-17(10-11-4-3-5-15-7-11)13-6-12(14)8-16-9-13/h6,8-9,11,15H,2-5,7,10H2,1H3
InChIKeyLDXGKNNOHXIXPC-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine
CID 114194238
3-bromo-5-(piperidin-3-ylmethyl)pyridine
CID 104811408
N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643619
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile
CID 106643489
5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine
CID 104531564
5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 115657325
4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
CID 106643456
N,6-diethyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643375
5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106642794

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine (CID 114194260) is 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine is CCN(CC1CCCNC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine?
The InChIKey is LDXGKNNOHXIXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-2-17(10-11-4-3-5-15-7-11)13-6-12(14)8-16-9-13/h6,8-9,11,15H,2-5,7,10H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine?
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine has a molecular weight of 298.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 114194260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).