1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol

C13H19BrN2O — CID 103350030

IUPAC1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2cc(N)cc(Br)c2)CC1O
InChIInChI=1S/C13H19BrN2O/c1-9-2-3-16(8-13(9)17)7-10-4-11(14)6-12(15)5-10/h4-6,9,13,17H,2-3,7-8,15H2,1H3
InChIKeyFLFTWGIHJJCEDL-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.23
Rot. Bonds2

About 1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol

1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol (PubChem CID 103350030) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol
PubChem CID103350030
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2cc(N)cc(Br)c2)CC1O
InChIInChI=1S/C13H19BrN2O/c1-9-2-3-16(8-13(9)17)7-10-4-11(14)6-12(15)5-10/h4-6,9,13,17H,2-3,7-8,15H2,1H3
InChIKeyFLFTWGIHJJCEDL-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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-[(3-amino-5-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103350027
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 112646139
1-[(3-bromo-5-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959990
1-[4-[(3-amino-5-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 103349981
2-[(3-amino-5-bromophenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103350000
4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 102958052
1-[(3-amino-4-nitrophenyl)methyl]-4-methylpiperidin-3-ol
CID 102966676
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
2-[4-[(3-amino-5-bromophenyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107214075
1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
CID 81148745

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol (CID 103350030) is 1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol is CC1CCN(Cc2cc(N)cc(Br)c2)CC1O.
What is the InChIKey of 1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is FLFTWGIHJJCEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9-2-3-16(8-13(9)17)7-10-4-11(14)6-12(15)5-10/h4-6,9,13,17H,2-3,7-8,15H2,1H3.
What are the key properties of 1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol?
1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 299.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-bromophenyl)methyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 103350030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).