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

C13H19BrN2O — CID 114879806

IUPAC1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2cccc(Br)c2CN)CCC1O
InChIInChI=1S/C13H19BrN2O/c1-9-8-16(6-5-13(9)17)12-4-2-3-11(14)10(12)7-15/h2-4,9,13,17H,5-8,15H2,1H3
InChIKeyLLRRDHSDLYABKC-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.11
Rot. Bonds2

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

1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol (PubChem CID 114879806) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
PubChem CID114879806
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2cccc(Br)c2CN)CCC1O
InChIInChI=1S/C13H19BrN2O/c1-9-8-16(6-5-13(9)17)12-4-2-3-11(14)10(12)7-15/h2-4,9,13,17H,5-8,15H2,1H3
InChIKeyLLRRDHSDLYABKC-UHFFFAOYSA-N
XLogP2.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 114879416
[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine
CID 114879785
[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 114879651
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114879692
2-bromo-6-(3-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 114882048
1-(2-amino-3-pyridinyl)-3-methylpiperidin-4-ol
CID 114677796
1-(6-bromo-2-pyridinyl)-3-methylpiperidin-4-ol
CID 114679698
1-[4-[2-(aminomethyl)-3-bromophenyl]-1,4-diazepan-1-yl]ethanone
CID 114879594
1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol
CID 114677744

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol (CID 114879806) is 1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol is CC1CN(c2cccc(Br)c2CN)CCC1O.
What is the InChIKey of 1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol?
The InChIKey is LLRRDHSDLYABKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9-8-16(6-5-13(9)17)12-4-2-3-11(14)10(12)7-15/h2-4,9,13,17H,5-8,15H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol?
1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol has a molecular weight of 299.21 g/mol, XLogP of 2.11, 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]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114879806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).