N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine

C17H28BrN3 — CID 83045774

IUPACN-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1N1CCCCC1CCC
InChIInChI=1S/C17H28BrN3/c1-3-7-16-8-5-6-10-21(16)17-14(12-19-9-4-2)11-15(18)13-20-17/h11,13,16,19H,3-10,12H2,1-2H3
InChIKeyRTVHIGLZVKUTKI-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.50
Rot. Bonds7

About N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 83045774) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID83045774
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC NameN-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1N1CCCCC1CCC
InChIInChI=1S/C17H28BrN3/c1-3-7-16-8-5-6-10-21(16)17-14(12-19-9-4-2)11-15(18)13-20-17/h11,13,16,19H,3-10,12H2,1-2H3
InChIKeyRTVHIGLZVKUTKI-UHFFFAOYSA-N
XLogP4.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83052128
N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 62888353
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine
CID 115562108
N-[[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287831
N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62289269
N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62285762
N-[[5-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 64581795
2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 79718017
N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 104692153
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
CID 63490204
N-[[6-methyl-4-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 83061461
5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine
CID 104844386

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 83045774) is N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(Br)cnc1N1CCCCC1CCC.
What is the InChIKey of N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is RTVHIGLZVKUTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-3-7-16-8-5-6-10-21(16)17-14(12-19-9-4-2)11-15(18)13-20-17/h11,13,16,19H,3-10,12H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 354.34 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 83045774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).