(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

C14H17BrClNO2 — CID 113259178

IUPAC(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C14H17BrClNO2/c1-19-9-10-3-2-6-17(8-10)14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyHMWMZQCDLKSBPA-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.60
Rot. Bonds3

About (4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 113259178) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID113259178
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C14H17BrClNO2/c1-19-9-10-3-2-6-17(8-10)14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyHMWMZQCDLKSBPA-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103841992
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339183
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112705975
(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765515
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
(3-bromo-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79465138
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
[3-(methoxymethyl)piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 106588810
(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646480

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 113259178) is (4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is HMWMZQCDLKSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-19-9-10-3-2-6-17(8-10)14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3.
What are the key properties of (4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 346.65 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113259178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).