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

C13H16BrNO2 — CID 115875011

IUPAC(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C13H16BrNO2/c1-13(17)6-3-7-15(9-13)12(16)10-4-2-5-11(14)8-10/h2,4-5,8,17H,3,6-7,9H2,1H3
InChIKeyJXIVBCPMZZCPCO-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.44
Rot. Bonds1

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

(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115875011) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is (3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115875011
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C13H16BrNO2/c1-13(17)6-3-7-15(9-13)12(16)10-4-2-5-11(14)8-10/h2,4-5,8,17H,3,6-7,9H2,1H3
InChIKeyJXIVBCPMZZCPCO-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133748
(3-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344085
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 115874915
(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849851
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
(3-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylphenyl)methanone
CID 107036053
(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304375
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115875011) is (3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)c2cccc(Br)c2)C1.
What is the InChIKey of (3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is JXIVBCPMZZCPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-13(17)6-3-7-15(9-13)12(16)10-4-2-5-11(14)8-10/h2,4-5,8,17H,3,6-7,9H2,1H3.
What are the key properties of (3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 298.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115875011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).