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

C14H16BrCl2NO — CID 106838783

IUPAC(3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
SMILESCC(Cl)C1CCN(C(=O)c2cccc(Br)c2Cl)CC1
InChIInChI=1S/C14H16BrCl2NO/c1-9(16)10-5-7-18(8-6-10)14(19)11-3-2-4-12(15)13(11)17/h2-4,9-10H,5-8H2,1H3
InChIKeyGUZMAZKUFWJENK-UHFFFAOYSA-N
MW365.10 g/mol
LogP4.58
Rot. Bonds2

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

(3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone (PubChem CID 106838783) has the molecular formula C14H16BrCl2NO and a molecular weight of 365.10 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
PubChem CID106838783
Molecular FormulaC14H16BrCl2NO
Molecular Weight365.10 g/mol
Exact Mass362.98
IUPAC Name(3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
SMILESCC(Cl)C1CCN(C(=O)c2cccc(Br)c2Cl)CC1
InChIInChI=1S/C14H16BrCl2NO/c1-9(16)10-5-7-18(8-6-10)14(19)11-3-2-4-12(15)13(11)17/h2-4,9-10H,5-8H2,1H3
InChIKeyGUZMAZKUFWJENK-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-3-methylphenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 107984073
(3-bromo-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 103994515
(3-bromo-2-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 103989224
(3-bromo-2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 113362425
ethyl 4-(3-bromo-2-chlorobenzoyl)piperazine-1-carboxylate
CID 103975216
[4-(1-chloroethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 106838854
(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103993791
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
[4-(1-chloroethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966408
(3-bromo-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 103995516

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone (CID 106838783) is (3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone is CC(Cl)C1CCN(C(=O)c2cccc(Br)c2Cl)CC1.
What is the InChIKey of (3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone?
The InChIKey is GUZMAZKUFWJENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrCl2NO/c1-9(16)10-5-7-18(8-6-10)14(19)11-3-2-4-12(15)13(11)17/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone?
(3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone has a molecular weight of 365.10 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106838783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).