(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C14H19BrN2O2 — CID 63251111

IUPAC(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C14H19BrN2O2/c1-16-9-10-4-6-17(7-5-10)14(19)12-3-2-11(15)8-13(12)18/h2-3,8,10,16,18H,4-7,9H2,1H3
InChIKeyIXLZQHMKWONELD-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.23
Rot. Bonds3

About (4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63251111) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63251111
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C14H19BrN2O2/c1-16-9-10-4-6-17(7-5-10)14(19)12-3-2-11(15)8-13(12)18/h2-3,8,10,16,18H,4-7,9H2,1H3
InChIKeyIXLZQHMKWONELD-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
(4-bromo-2-nitrophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543076
(4-bromo-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478388
(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662371
(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107725091
(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107672010
(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62084706
(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506286
6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119544979
(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248375
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 63251111) is (4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2ccc(Br)cc2O)CC1.
What is the InChIKey of (4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is IXLZQHMKWONELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16-9-10-4-6-17(7-5-10)14(19)12-3-2-11(15)8-13(12)18/h2-3,8,10,16,18H,4-7,9H2,1H3.
What are the key properties of (4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 327.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63251111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).