(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone

C13H15Cl2NO2 — CID 82550752

IUPAC(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone
SMILESCOc1c(Cl)cc(C(=O)C2CCCNC2)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-18-13-10(14)5-9(6-11(13)15)12(17)8-3-2-4-16-7-8/h5-6,8,16H,2-4,7H2,1H3
InChIKeyFEHCIZRFECTOHE-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.18
Rot. Bonds3

About (3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone

(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone (PubChem CID 82550752) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone
PubChem CID82550752
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone
SMILESCOc1c(Cl)cc(C(=O)C2CCCNC2)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-18-13-10(14)5-9(6-11(13)15)12(17)8-3-2-4-16-7-8/h5-6,8,16H,2-4,7H2,1H3
InChIKeyFEHCIZRFECTOHE-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
(5-chloro-2-methoxy-3-propan-2-ylphenyl)-piperidin-3-ylmethanone
CID 82552814
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
(5-chloro-2,3,4-trimethoxyphenyl)-piperidin-4-ylmethanone
CID 96709317
(3-chloro-4,5-dimethoxyphenyl)-(oxan-3-yl)methanone
CID 107135869
cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
CID 177314037
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
azetidin-3-yl-(3,5-dichloro-2-methoxyphenyl)methanone
CID 116916761
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone?
The IUPAC name of (3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone (CID 82550752) is (3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone.
What is the SMILES notation for (3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone?
The canonical SMILES for (3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone is COc1c(Cl)cc(C(=O)C2CCCNC2)cc1Cl.
What is the InChIKey of (3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone?
The InChIKey is FEHCIZRFECTOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-18-13-10(14)5-9(6-11(13)15)12(17)8-3-2-4-16-7-8/h5-6,8,16H,2-4,7H2,1H3.
What are the key properties of (3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone?
(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone has a molecular weight of 288.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone is sourced from PubChem (CID 82550752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).