(5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone

C13H19BrN2O2 — CID 163476612

IUPAC(5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2C=CC(Br)=CN2)CCC1O
InChIInChI=1S/C13H19BrN2O2/c1-13(2)8-16(6-5-11(13)17)12(18)10-4-3-9(14)7-15-10/h3-4,7,10-11,15,17H,5-6,8H2,1-2H3
InChIKeyCAYQQKTYLIYVFU-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.37
Rot. Bonds1

About (5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone

(5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 163476612) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is (5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
PubChem CID163476612
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name(5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2C=CC(Br)=CN2)CCC1O
InChIInChI=1S/C13H19BrN2O2/c1-13(2)8-16(6-5-11(13)17)12(18)10-4-3-9(14)7-15-10/h3-4,7,10-11,15,17H,5-6,8H2,1-2H3
InChIKeyCAYQQKTYLIYVFU-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 115276519
methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 115269670
N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide
CID 138020287
(5-bromo-2-fluorophenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276511
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115276524
N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide
CID 112747224
(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276502
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
CID 115276536
(4-hydroxy-3,3-dimethylpiperidin-1-yl)-[4-(5-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanone
CID 139011813
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one
CID 115276540
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-bicyclo[4.1.0]heptanyl)methanone
CID 120820176
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone (CID 163476612) is (5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone is CC1(C)CN(C(=O)C2C=CC(Br)=CN2)CCC1O.
What is the InChIKey of (5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is CAYQQKTYLIYVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2)8-16(6-5-11(13)17)12(18)10-4-3-9(14)7-15-10/h3-4,7,10-11,15,17H,5-6,8H2,1-2H3.
What are the key properties of (5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone?
(5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 315.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,2-dihydropyridin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 163476612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).