(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone

C14H17BrClNO — CID 107951572

IUPAC(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H17BrClNO/c1-2-13-5-3-4-6-17(13)14(18)10-7-11(15)9-12(16)8-10/h7-9,13H,2-6H2,1H3
InChIKeyHWSCQVGCKROKDW-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.51
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone

(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 107951572) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID107951572
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H17BrClNO/c1-2-13-5-3-4-6-17(13)14(18)10-7-11(15)9-12(16)8-10/h7-9,13H,2-6H2,1H3
InChIKeyHWSCQVGCKROKDW-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-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

(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
1-[1-(3-bromo-5-chlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 107939107
(3-bromo-5-chlorophenyl)-(2-methylazepan-1-yl)methanone
CID 114019994
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
[2-(bromomethyl)azepan-1-yl]-(3,5-dichlorophenyl)methanone
CID 116639616
[2-(bromomethyl)piperidin-1-yl]-(3,5-dibromophenyl)methanone
CID 114022943
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[2-(bromomethyl)azepan-1-yl]-(3,5-dibromophenyl)methanone
CID 114022996
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone (CID 107951572) is (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is HWSCQVGCKROKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-2-13-5-3-4-6-17(13)14(18)10-7-11(15)9-12(16)8-10/h7-9,13H,2-6H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone?
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 330.65 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 107951572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).