2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine

C17H26BrN3 — CID 104803043

IUPAC2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C17H26BrN3/c18-15-10-14(12-20-13-15)11-16(19)17(6-2-3-7-17)21-8-4-1-5-9-21/h10,12-13,16H,1-9,11,19H2
InChIKeyNAIDELZOHNDCEI-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.51
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine (PubChem CID 104803043) has the molecular formula C17H26BrN3 and a molecular weight of 352.32 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
PubChem CID104803043
Molecular FormulaC17H26BrN3
Molecular Weight352.32 g/mol
Exact Mass351.13
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C17H26BrN3/c18-15-10-14(12-20-13-15)11-16(19)17(6-2-3-7-17)21-8-4-1-5-9-21/h10,12-13,16H,1-9,11,19H2
InChIKeyNAIDELZOHNDCEI-UHFFFAOYSA-N
XLogP3.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105036656
1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104802895
2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 79060633
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
3-(azepan-1-yl)-1-(5-bromo-3-pyridinyl)-N,3-dimethylbutan-2-amine
CID 104802920
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768183
1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine
CID 79057744
2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753226
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190850
2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
CID 18985988

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine (CID 104803043) is 2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine is NC(Cc1cncc(Br)c1)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine?
The InChIKey is NAIDELZOHNDCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3/c18-15-10-14(12-20-13-15)11-16(19)17(6-2-3-7-17)21-8-4-1-5-9-21/h10,12-13,16H,1-9,11,19H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine has a molecular weight of 352.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine is sourced from PubChem (CID 104803043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).