(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone

C16H22ClNO3 — CID 43330615

IUPAC(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
SMILESCCOc1cc(Cl)c(C(=O)C2CCNCC2)cc1OCC
InChIInChI=1S/C16H22ClNO3/c1-3-20-14-9-12(13(17)10-15(14)21-4-2)16(19)11-5-7-18-8-6-11/h9-11,18H,3-8H2,1-2H3
InChIKeyOMKUHVLHTLLYEU-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.32
Rot. Bonds6

About (2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone

(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone (PubChem CID 43330615) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is (2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
PubChem CID43330615
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
SMILESCCOc1cc(Cl)c(C(=O)C2CCNCC2)cc1OCC
InChIInChI=1S/C16H22ClNO3/c1-3-20-14-9-12(13(17)10-15(14)21-4-2)16(19)11-5-7-18-8-6-11/h9-11,18H,3-8H2,1-2H3
InChIKeyOMKUHVLHTLLYEU-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-4,5-diethoxyphenyl)-piperidin-4-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

(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone
CID 43162240
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
2-chloro-4,5-diethoxybenzamide
CID 82268164
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
(2-chloro-4-ethoxyphenyl)-cyclopropylmethanone
CID 82267627
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897
(4-ethoxy-2,3,6-trimethylphenyl)-piperidin-4-ylmethanone
CID 82552625
[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone
CID 82551740
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one
CID 43340747
1-(2-chloro-4,5-diethoxyphenyl)prop-2-en-1-one
CID 83959394
(5-chloro-2,3,4-trimethoxyphenyl)-piperidin-4-ylmethanone
CID 96709317

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone (CID 43330615) is (2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone is CCOc1cc(Cl)c(C(=O)C2CCNCC2)cc1OCC.
What is the InChIKey of (2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone?
The InChIKey is OMKUHVLHTLLYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-3-20-14-9-12(13(17)10-15(14)21-4-2)16(19)11-5-7-18-8-6-11/h9-11,18H,3-8H2,1-2H3.
What are the key properties of (2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone?
(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone has a molecular weight of 311.81 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 43330615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).