(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

C14H17BrClNO2 — CID 107470758

IUPAC(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C14H17BrClNO2/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
InChIKeyAZFPTLMYNGFLKQ-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.74
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107470758) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107470758
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C14H17BrClNO2/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
InChIKeyAZFPTLMYNGFLKQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470761
[(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
(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812651
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 107952405
(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-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107952407
(3-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107470758) is (3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2cc(Cl)cc(Br)c2)C1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is AZFPTLMYNGFLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/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-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 346.65 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107470758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).