1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol

C12H17BrN2O — CID 102955441

IUPAC1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccc(Br)cc2N)CC1O
InChIInChI=1S/C12H17BrN2O/c1-8-4-5-15(7-12(8)16)11-3-2-9(13)6-10(11)14/h2-3,6,8,12,16H,4-5,7,14H2,1H3
InChIKeyUZMOJULTHKQKDB-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.24
Rot. Bonds1

About 1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol

1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol (PubChem CID 102955441) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol
PubChem CID102955441
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccc(Br)cc2N)CC1O
InChIInChI=1S/C12H17BrN2O/c1-8-4-5-15(7-12(8)16)11-3-2-9(13)6-10(11)14/h2-3,6,8,12,16H,4-5,7,14H2,1H3
InChIKeyUZMOJULTHKQKDB-UHFFFAOYSA-N
XLogP2.24
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.24
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-4-bromophenyl)piperidin-4-ol
CID 24695126
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol
CID 102958926
1-(2-amino-4-bromophenyl)azetidin-3-ol
CID 131204313
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958887
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
CID 102958923
1-(2-amino-5-bromophenyl)piperidin-3-ol
CID 65343065
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromoaniline
CID 63150572
2-(3-amino-4-methylpiperidin-1-yl)-5-bromobenzamide
CID 114894017
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 114680873

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol (CID 102955441) is 1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol is CC1CCN(c2ccc(Br)cc2N)CC1O.
What is the InChIKey of 1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol?
The InChIKey is UZMOJULTHKQKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-4-5-15(7-12(8)16)11-3-2-9(13)6-10(11)14/h2-3,6,8,12,16H,4-5,7,14H2,1H3.
What are the key properties of 1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol?
1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol has a molecular weight of 285.19 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102955441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).