2-bromo-4-piperidin-3-ylaniline

C11H15BrN2 — CID 130039466

IUPAC2-bromo-4-piperidin-3-ylaniline
SMILESNc1ccc(C2CCCNC2)cc1Br
InChIInChI=1S/C11H15BrN2/c12-10-6-8(3-4-11(10)13)9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7,13H2
InChIKeyVWEJDFOOMCOWIV-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.50
Rot. Bonds1

About 2-bromo-4-piperidin-3-ylaniline

2-bromo-4-piperidin-3-ylaniline (PubChem CID 130039466) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-bromo-4-piperidin-3-ylaniline.

Molecular Properties

Compound Name2-bromo-4-piperidin-3-ylaniline
PubChem CID130039466
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-bromo-4-piperidin-3-ylaniline
SMILESNc1ccc(C2CCCNC2)cc1Br
InChIInChI=1S/C11H15BrN2/c12-10-6-8(3-4-11(10)13)9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7,13H2
InChIKeyVWEJDFOOMCOWIV-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
2-fluoro-5-[(3S)-piperidin-3-yl]aniline
CID 93478585
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
3-(3-bromothiophen-2-yl)piperidine
CID 82664967
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
2-methyl-4-piperidin-3-ylphenol
CID 84663479
(3R)-3-(2-bromo-5-iodophenyl)piperidine
CID 131218525
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-piperidin-3-ylaniline?
The IUPAC name of 2-bromo-4-piperidin-3-ylaniline (CID 130039466) is 2-bromo-4-piperidin-3-ylaniline.
What is the SMILES notation for 2-bromo-4-piperidin-3-ylaniline?
The canonical SMILES for 2-bromo-4-piperidin-3-ylaniline is Nc1ccc(C2CCCNC2)cc1Br.
What is the InChIKey of 2-bromo-4-piperidin-3-ylaniline?
The InChIKey is VWEJDFOOMCOWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-6-8(3-4-11(10)13)9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7,13H2.
What are the key properties of 2-bromo-4-piperidin-3-ylaniline?
2-bromo-4-piperidin-3-ylaniline has a molecular weight of 255.16 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-piperidin-3-ylaniline is sourced from PubChem (CID 130039466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).