(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

C14H17Br2NO2 — CID 107470761

IUPAC(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cc(Br)cc(Br)c2)C1
InChIInChI=1S/C14H17Br2NO2/c1-14(19-2)4-3-5-17(9-14)13(18)10-6-11(15)8-12(16)7-10/h6-8H,3-5,9H2,1-2H3
InChIKeyOFUZEZLNZCOHAF-UHFFFAOYSA-N
MW391.10 g/mol
LogP3.85
Rot. Bonds2

About (3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107470761) has the molecular formula C14H17Br2NO2 and a molecular weight of 391.10 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107470761
Molecular FormulaC14H17Br2NO2
Molecular Weight391.10 g/mol
Exact Mass388.96
IUPAC Name(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cc(Br)cc(Br)c2)C1
InChIInChI=1S/C14H17Br2NO2/c1-14(19-2)4-3-5-17(9-14)13(18)10-6-11(15)8-12(16)7-10/h6-8H,3-5,9H2,1-2H3
InChIKeyOFUZEZLNZCOHAF-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470758
[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 124679751
(4-bromo-3-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470874
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470864
(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107395020
(3-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103909366
[3-amino-4-(dimethylamino)phenyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390317
2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392419
(4-amino-3-nitrophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394866
(3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone
CID 154789681

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107470761) is (3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2cc(Br)cc(Br)c2)C1.
What is the InChIKey of (3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is OFUZEZLNZCOHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2/c1-14(19-2)4-3-5-17(9-14)13(18)10-6-11(15)8-12(16)7-10/h6-8H,3-5,9H2,1-2H3.
What are the key properties of (3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 391.10 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107470761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).