(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone

C13H15Cl2NO2 — CID 110755240

IUPAC(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCCCC1
InChIInChI=1S/C13H15Cl2NO2/c1-18-12-10(15)6-5-9(14)11(12)13(17)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3
InChIKeyNVNFIYRKVVOOLW-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.63
Rot. Bonds2

About (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone

(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 110755240) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
PubChem CID110755240
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCCCC1
InChIInChI=1S/C13H15Cl2NO2/c1-18-12-10(15)6-5-9(14)11(12)13(17)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3
InChIKeyNVNFIYRKVVOOLW-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone 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

(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110396652
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 108567728
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347569
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110328475
1-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108569916
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
methyl 4-(2,6-dichlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 71982036
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 108559370
(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741343
(3,6-dichloro-2-methoxyphenyl)-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]methanone
CID 108729933

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone (CID 110755240) is (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone is COc1c(Cl)ccc(Cl)c1C(=O)N1CCCCC1.
What is the InChIKey of (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is NVNFIYRKVVOOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-18-12-10(15)6-5-9(14)11(12)13(17)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3.
What are the key properties of (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone?
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 288.17 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 110755240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).