[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol

C12H17BrN2O — CID 65342923

IUPAC[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol
SMILESNc1ccc(Br)cc1N1CCCCC1CO
InChIInChI=1S/C12H17BrN2O/c13-9-4-5-11(14)12(7-9)15-6-2-1-3-10(15)8-16/h4-5,7,10,16H,1-3,6,8,14H2
InChIKeyIRDANJWNDUGXCY-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.38
Rot. Bonds2

About [1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol

[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol (PubChem CID 65342923) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is [1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol
PubChem CID65342923
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol
SMILESNc1ccc(Br)cc1N1CCCCC1CO
InChIInChI=1S/C12H17BrN2O/c13-9-4-5-11(14)12(7-9)15-6-2-1-3-10(15)8-16/h4-5,7,10,16H,1-3,6,8,14H2
InChIKeyIRDANJWNDUGXCY-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol
CID 116735604
[1-[5-bromo-2-(methylaminomethyl)phenyl]azepan-2-yl]methanol
CID 116635480
4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide
CID 63357388
[1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol
CID 106949677
5-bromo-2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzonitrile
CID 114890498
[1-[5-bromo-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61411184
[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol
CID 66101661
4-bromo-2-(3-ethylmorpholin-4-yl)aniline
CID 65343373
[1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63060243
[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol
CID 66093339
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 63360665
[1-(8-amino-3-methylisoquinolin-5-yl)azepan-2-yl]methanol
CID 102713697

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol (CID 65342923) is [1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol is Nc1ccc(Br)cc1N1CCCCC1CO.
What is the InChIKey of [1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol?
The InChIKey is IRDANJWNDUGXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-9-4-5-11(14)12(7-9)15-6-2-1-3-10(15)8-16/h4-5,7,10,16H,1-3,6,8,14H2.
What are the key properties of [1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol?
[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol has a molecular weight of 285.18 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol is sourced from PubChem (CID 65342923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).