1-[2-(4-bromophenyl)ethyl]piperidin-1-ium

C13H19BrN+ — CID 86308017

IUPAC1-[2-(4-bromophenyl)ethyl]piperidin-1-ium
SMILESBrc1ccc(CC[NH+]2CCCCC2)cc1
InChIInChI=1S/C13H18BrN/c14-13-6-4-12(5-7-13)8-11-15-9-2-1-3-10-15/h4-7H,1-3,8-11H2/p+1
InChIKeyRHXYBJOTCBAJCW-UHFFFAOYSA-O
MW269.21 g/mol
LogP2.06
Rot. Bonds3

About 1-[2-(4-bromophenyl)ethyl]piperidin-1-ium

1-[2-(4-bromophenyl)ethyl]piperidin-1-ium (PubChem CID 86308017) has the molecular formula C13H19BrN+ and a molecular weight of 269.21 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]piperidin-1-ium
PubChem CID86308017
Molecular FormulaC13H19BrN+
Molecular Weight269.21 g/mol
Exact Mass268.07
IUPAC Name1-[2-(4-bromophenyl)ethyl]piperidin-1-ium
SMILESBrc1ccc(CC[NH+]2CCCCC2)cc1
InChIInChI=1S/C13H18BrN/c14-13-6-4-12(5-7-13)8-11-15-9-2-1-3-10-15/h4-7H,1-3,8-11H2/p+1
InChIKeyRHXYBJOTCBAJCW-UHFFFAOYSA-O
XLogP2.06
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
1-[(4-bromophenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium
CID 6988450
1-[(4-bromophenyl)methyl]-1,4-diazepane-1,4-diium
CID 7170016
1-bromo-4-(3,3-difluorobutyl)benzene
CID 84706880
1-[2-[(R)-(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidin-1-ium
CID 6959565
1-[(4-bromophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 6981564
1-benzyl-4-(2-piperidin-1-ium-1-ylethyl)piperazine-1,4-diium
CID 7436888
1-[(3-bromo-4-fluorophenyl)methyl]azepan-1-ium
CID 7439362
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidin-1-ium
CID 2296986
1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073756
1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine
CID 115074168

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]piperidin-1-ium?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]piperidin-1-ium (CID 86308017) is 1-[2-(4-bromophenyl)ethyl]piperidin-1-ium.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]piperidin-1-ium?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]piperidin-1-ium is Brc1ccc(CC[NH+]2CCCCC2)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]piperidin-1-ium?
The InChIKey is RHXYBJOTCBAJCW-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18BrN/c14-13-6-4-12(5-7-13)8-11-15-9-2-1-3-10-15/h4-7H,1-3,8-11H2/p+1.
What are the key properties of 1-[2-(4-bromophenyl)ethyl]piperidin-1-ium?
1-[2-(4-bromophenyl)ethyl]piperidin-1-ium has a molecular weight of 269.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]piperidin-1-ium is sourced from PubChem (CID 86308017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).