(4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone

C13H17BrN2O2 — CID 104872612

IUPAC(4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone
SMILESCC1CC(N)CCN1C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H17BrN2O2/c1-8-6-10(15)4-5-16(8)13(18)11-7-9(14)2-3-12(11)17/h2-3,7-8,10,17H,4-6,15H2,1H3
InChIKeyRUHIIMCCUOYWGN-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.11
Rot. Bonds1

About (4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone

(4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone (PubChem CID 104872612) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone
PubChem CID104872612
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone
SMILESCC1CC(N)CCN1C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H17BrN2O2/c1-8-6-10(15)4-5-16(8)13(18)11-7-9(14)2-3-12(11)17/h2-3,7-8,10,17H,4-6,15H2,1H3
InChIKeyRUHIIMCCUOYWGN-UHFFFAOYSA-N
XLogP2.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
CID 113284360
(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115369691
(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
CID 103522096
(4-amino-2-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103821494
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576206
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
CID 104872380
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107730090
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124689802
5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103821481
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124691606
(5-bromo-2-hydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955443
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-bromophenyl)propan-1-one
CID 124689344

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone (CID 104872612) is (4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone is CC1CC(N)CCN1C(=O)c1cc(Br)ccc1O.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone?
The InChIKey is RUHIIMCCUOYWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8-6-10(15)4-5-16(8)13(18)11-7-9(14)2-3-12(11)17/h2-3,7-8,10,17H,4-6,15H2,1H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone has a molecular weight of 313.19 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone is sourced from PubChem (CID 104872612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).