(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone

C15H20BrNO2 — CID 60660628

IUPAC(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC(C)CC(C)C2)cc1Br
InChIInChI=1S/C15H20BrNO2/c1-10-6-11(2)9-17(8-10)15(18)12-4-5-14(19-3)13(16)7-12/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyJAPSUOGKIPSURQ-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.58
Rot. Bonds2

About (3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone

(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 60660628) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID60660628
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC(C)CC(C)C2)cc1Br
InChIInChI=1S/C15H20BrNO2/c1-10-6-11(2)9-17(8-10)15(18)12-4-5-14(19-3)13(16)7-12/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyJAPSUOGKIPSURQ-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226218
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
(3-bromo-4-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348315
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51218725
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 717990
1-(3-bromo-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43241951
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110799749
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073
(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909204
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3-bromo-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705366

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 60660628) is (3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CC(C)CC(C)C2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is JAPSUOGKIPSURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-6-11(2)9-17(8-10)15(18)12-4-5-14(19-3)13(16)7-12/h4-5,7,10-11H,6,8-9H2,1-3H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 326.23 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 60660628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).