1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine

C13H19BrN2 — CID 82972487

IUPAC1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine
SMILESCC(N)c1ccc(Br)cc1N1CCCCC1
InChIInChI=1S/C13H19BrN2/c1-10(15)12-6-5-11(14)9-13(12)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,15H2,1H3
InChIKeyONDBZDQNYDETKP-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.46
Rot. Bonds2

About 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine

1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine (PubChem CID 82972487) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine
PubChem CID82972487
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine
SMILESCC(N)c1ccc(Br)cc1N1CCCCC1
InChIInChI=1S/C13H19BrN2/c1-10(15)12-6-5-11(14)9-13(12)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,15H2,1H3
InChIKeyONDBZDQNYDETKP-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 82971471
1-(4-bromo-2-piperidin-1-ylphenyl)ethanol
CID 82969107
1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide
CID 82971943
1-[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 82968374
1-[4-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanamine
CID 82955235
1-[4-bromo-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanamine
CID 82967944
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
1-[4-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]ethanamine
CID 82968869
1-(4-bromo-2-piperidin-1-ylphenyl)butan-2-amine
CID 63785603
4-[2-(1-aminoethyl)-5-bromophenyl]morpholine-2-carbonitrile
CID 82968607

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine (CID 82972487) is 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine is CC(N)c1ccc(Br)cc1N1CCCCC1.
What is the InChIKey of 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine?
The InChIKey is ONDBZDQNYDETKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10(15)12-6-5-11(14)9-13(12)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,15H2,1H3.
What are the key properties of 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine?
1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine has a molecular weight of 283.21 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine is sourced from PubChem (CID 82972487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).