N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine

C14H22BrN3 — CID 115741636

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1ccc(Br)cn1)C1CCNCC1
InChIInChI=1S/C14H22BrN3/c1-2-9-18(14-5-7-16-8-6-14)11-13-4-3-12(15)10-17-13/h3-4,10,14,16H,2,5-9,11H2,1H3
InChIKeyNYYGHJTWBBULRY-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.81
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine

N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 115741636) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
PubChem CID115741636
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1ccc(Br)cn1)C1CCNCC1
InChIInChI=1S/C14H22BrN3/c1-2-9-18(14-5-7-16-8-6-14)11-13-4-3-12(15)10-17-13/h3-4,10,14,16H,2,5-9,11H2,1H3
InChIKeyNYYGHJTWBBULRY-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806990
N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 104798115
2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol
CID 113239605
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 115622615
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 115622551
N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
CID 54923407
N-[(3-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 112650950
N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806819
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 60806152
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933025
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806488
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine
CID 60807855

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine (CID 115741636) is N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine is CCCN(Cc1ccc(Br)cn1)C1CCNCC1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is NYYGHJTWBBULRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-2-9-18(14-5-7-16-8-6-14)11-13-4-3-12(15)10-17-13/h3-4,10,14,16H,2,5-9,11H2,1H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine?
N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 312.25 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 115741636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).