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

C14H17BrClNO2 — CID 103765515

IUPAC(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(Cl)cc2Br)C1
InChIInChI=1S/C14H17BrClNO2/c1-19-9-10-3-2-6-17(8-10)14(18)12-5-4-11(16)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyGHOUHWPICJNMHC-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.60
Rot. Bonds3

About (2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 103765515) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID103765515
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc(Cl)cc2Br)C1
InChIInChI=1S/C14H17BrClNO2/c1-19-9-10-3-2-6-17(8-10)14(18)12-5-4-11(16)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyGHOUHWPICJNMHC-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

(2-bromo-4-chlorophenyl)-[3-(2-chloroethyl)piperidin-1-yl]methanone
CID 107993644
[5-chloro-2-(ethylamino)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103529941
(3-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103841992
(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113259178
(2-bromo-4-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 107988267
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
(2-bromo-4-chlorophenyl)-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 107994318
(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107990480
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339183
(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339182
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 120727640

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 103765515) is (2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2ccc(Cl)cc2Br)C1.
What is the InChIKey of (2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is GHOUHWPICJNMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-19-9-10-3-2-6-17(8-10)14(18)12-5-4-11(16)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(2-bromo-4-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 (2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103765515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).