1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine

C13H18BrN3 — CID 114223190

IUPAC1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine
SMILESBrc1cncc(N2CCCC(NC3CC3)C2)c1
InChIInChI=1S/C13H18BrN3/c14-10-6-13(8-15-7-10)17-5-1-2-12(9-17)16-11-3-4-11/h6-8,11-12,16H,1-5,9H2
InChIKeyYTRHCBFBZVUQOI-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.56
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine

1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine (PubChem CID 114223190) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine
PubChem CID114223190
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine
SMILESBrc1cncc(N2CCCC(NC3CC3)C2)c1
InChIInChI=1S/C13H18BrN3/c14-10-6-13(8-15-7-10)17-5-1-2-12(9-17)16-11-3-4-11/h6-8,11-12,16H,1-5,9H2
InChIKeyYTRHCBFBZVUQOI-UHFFFAOYSA-N
XLogP2.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(3R)-1-(5-bromo-3-pyridinyl)piperidin-3-yl]carbamate
CID 97029184
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine
CID 65489266
[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374152
N-methyl-1-(5-methyl-3-pyridinyl)piperidin-3-amine
CID 107586864
2-(5-bromo-3-pyridinyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 114223219
1-(5-bromo-3-pyridinyl)piperidin-4-amine
CID 70343493
5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine
CID 75494330
1-(5-bromo-3-pyridinyl)-4-cyclopentylpiperazine
CID 113234116
3-bromo-5-(3-propoxypiperidin-1-yl)pyridine
CID 112695219
1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one
CID 71926555
(2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 99636699
1-(5-methyl-3-pyridinyl)-N-propylpiperidin-3-amine
CID 107586869

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine (CID 114223190) is 1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine is Brc1cncc(N2CCCC(NC3CC3)C2)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine?
The InChIKey is YTRHCBFBZVUQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c14-10-6-13(8-15-7-10)17-5-1-2-12(9-17)16-11-3-4-11/h6-8,11-12,16H,1-5,9H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine?
1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine has a molecular weight of 296.21 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine is sourced from PubChem (CID 114223190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).