(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone

C13H16BrNO2 — CID 43630038

IUPAC(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1cc(Br)ccc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H16BrNO2/c1-9-8-10(14)2-3-12(9)13(17)15-6-4-11(16)5-7-15/h2-3,8,11,16H,4-7H2,1H3
InChIKeyNFJVQIALPBFJAY-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.35
Rot. Bonds1

About (4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone

(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43630038) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43630038
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1cc(Br)ccc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H16BrNO2/c1-9-8-10(14)2-3-12(9)13(17)15-6-4-11(16)5-7-15/h2-3,8,11,16H,4-7H2,1H3
InChIKeyNFJVQIALPBFJAY-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43630039
(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 172648533
[(3R)-3-aminopyrrolidin-1-yl]-(4-bromo-2-methylphenyl)methanone
CID 81470129
[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-methylphenyl)methanone;hydrochloride
CID 119518483
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489
(4-bromo-2-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 56826294
[1-(4-bromo-2-methylbenzoyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 55850164
(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110897019
(5-bromo-2-methylphenyl)-(4-chloropiperidin-1-yl)methanone
CID 65309510
(4-bromo-2-methylphenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646801
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone (CID 43630038) is (4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone is Cc1cc(Br)ccc1C(=O)N1CCC(O)CC1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is NFJVQIALPBFJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9-8-10(14)2-3-12(9)13(17)15-6-4-11(16)5-7-15/h2-3,8,11,16H,4-7H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 298.18 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43630038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).