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

C12H17BrN2O — CID 60791980

IUPAC1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol
SMILESNc1ccc(CN2CCCC(O)C2)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-12-6-10(14)4-3-9(12)7-15-5-1-2-11(16)8-15/h3-4,6,11,16H,1-2,5,7-8,14H2
InChIKeyOJJWTFWVWZYJEP-UHFFFAOYSA-N
MW285.18 g/mol
LogP1.99
Rot. Bonds2

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

1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol (PubChem CID 60791980) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol
PubChem CID60791980
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol
SMILESNc1ccc(CN2CCCC(O)C2)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-12-6-10(14)4-3-9(12)7-15-5-1-2-11(16)8-15/h3-4,6,11,16H,1-2,5,7-8,14H2
InChIKeyOJJWTFWVWZYJEP-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol
CID 62941685
3-bromo-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 60795850
3-bromo-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 63171631
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
(3S)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103882994
3-bromo-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 79174436
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-3-bromoaniline
CID 102725473
1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol
CID 115903800
1-[(2-amino-5-nitrophenyl)methyl]piperidin-3-ol
CID 62208090
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
3-bromo-4-[(2,6-dimethylpiperidin-1-yl)methyl]aniline
CID 54918462

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol (CID 60791980) is 1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol is Nc1ccc(CN2CCCC(O)C2)c(Br)c1.
What is the InChIKey of 1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol?
The InChIKey is OJJWTFWVWZYJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-12-6-10(14)4-3-9(12)7-15-5-1-2-11(16)8-15/h3-4,6,11,16H,1-2,5,7-8,14H2.
What are the key properties of 1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol?
1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol has a molecular weight of 285.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 60791980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).