(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone

C15H19BrClNO2 — CID 103826766

IUPAC(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C15H19BrClNO2/c1-2-6-20-14-4-3-5-18(10-14)15(19)11-7-12(16)9-13(17)8-11/h7-9,14H,2-6,10H2,1H3
InChIKeyQWHBOENGCWKGFY-UHFFFAOYSA-N
MW360.68 g/mol
LogP4.13
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone

(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 103826766) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID103826766
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC Name(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C15H19BrClNO2/c1-2-6-20-14-4-3-5-18(10-14)15(19)11-7-12(16)9-13(17)8-11/h7-9,14H,2-6,10H2,1H3
InChIKeyQWHBOENGCWKGFY-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633275
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 80618499
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone (CID 103826766) is (3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2cc(Cl)cc(Br)c2)C1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is QWHBOENGCWKGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c1-2-6-20-14-4-3-5-18(10-14)15(19)11-7-12(16)9-13(17)8-11/h7-9,14H,2-6,10H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone?
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 360.68 g/mol, XLogP of 4.13, 4 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-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 103826766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).