1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol

C12H17BrN2O — CID 114879416

IUPAC1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
SMILESNCc1c(Br)cccc1N1CCC(O)CC1
InChIInChI=1S/C12H17BrN2O/c13-11-2-1-3-12(10(11)8-14)15-6-4-9(16)5-7-15/h1-3,9,16H,4-8,14H2
InChIKeyPHRVYBWACRUIGH-UHFFFAOYSA-N
MW285.18 g/mol
LogP1.87
Rot. Bonds2

About 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol

1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol (PubChem CID 114879416) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
PubChem CID114879416
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
SMILESNCc1c(Br)cccc1N1CCC(O)CC1
InChIInChI=1S/C12H17BrN2O/c13-11-2-1-3-12(10(11)8-14)15-6-4-9(16)5-7-15/h1-3,9,16H,4-8,14H2
InChIKeyPHRVYBWACRUIGH-UHFFFAOYSA-N
XLogP1.87
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol 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-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
CID 114879806
8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114879692
[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 114879651
[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine
CID 114879785
1-[4-[2-(aminomethyl)-3-bromophenyl]-1,4-diazepan-1-yl]ethanone
CID 114879594
[2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 114879434
[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 114879719
[2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742897
1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 107274657
[2-bromo-6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]methanamine
CID 114879674
4-[2-(aminomethyl)-3-bromophenyl]-1,4-diazepan-2-one
CID 114879712
[2-bromo-6-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 84707825

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol?
The IUPAC name of 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol (CID 114879416) is 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol is NCc1c(Br)cccc1N1CCC(O)CC1.
What is the InChIKey of 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol?
The InChIKey is PHRVYBWACRUIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-11-2-1-3-12(10(11)8-14)15-6-4-9(16)5-7-15/h1-3,9,16H,4-8,14H2.
What are the key properties of 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol?
1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol has a molecular weight of 285.18 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol is sourced from PubChem (CID 114879416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).