(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C13H16BrNO2 — CID 103901069

IUPAC(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Br)cc2)CC1O
InChIInChI=1S/C13H16BrNO2/c1-9-6-7-15(8-12(9)16)13(17)10-2-4-11(14)5-3-10/h2-5,9,12,16H,6-8H2,1H3
InChIKeyWSFBAAPDPGAHDR-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.29
Rot. Bonds1

About (4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 103901069) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is (4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID103901069
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Br)cc2)CC1O
InChIInChI=1S/C13H16BrNO2/c1-9-6-7-15(8-12(9)16)13(17)10-2-4-11(14)5-3-10/h2-5,9,12,16H,6-8H2,1H3
InChIKeyWSFBAAPDPGAHDR-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236
(3-bromo-4-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348315
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
[1-(4-bromophenyl)cyclopropyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900531
[4-(3-aminoprop-1-ynyl)phenyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964038
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
(4-amino-3-chlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954869
(4-bromophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396170
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
(4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone
CID 67038222
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 103901069) is (4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(Br)cc2)CC1O.
What is the InChIKey of (4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is WSFBAAPDPGAHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9-6-7-15(8-12(9)16)13(17)10-2-4-11(14)5-3-10/h2-5,9,12,16H,6-8H2,1H3.
What are the key properties of (4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 298.18 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103901069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).