(1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride

C14H18Cl3NO3 — CID 2948699

IUPAC(1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride
SMILESCN1CCC(OC(=O)COc2ccc(Cl)cc2Cl)CC1.Cl
InChIInChI=1S/C14H17Cl2NO3.ClH/c1-17-6-4-11(5-7-17)20-14(18)9-19-13-3-2-10(15)8-12(13)16;/h2-3,8,11H,4-7,9H2,1H3;1H
InChIKeyKMVWYLIACPRDAG-UHFFFAOYSA-N
MW354.66 g/mol
LogP3.43
Rot. Bonds4

About (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride

(1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride (PubChem CID 2948699) has the molecular formula C14H18Cl3NO3 and a molecular weight of 354.66 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride
PubChem CID2948699
Molecular FormulaC14H18Cl3NO3
Molecular Weight354.66 g/mol
Exact Mass353.04
IUPAC Name(1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride
SMILESCN1CCC(OC(=O)COc2ccc(Cl)cc2Cl)CC1.Cl
InChIInChI=1S/C14H17Cl2NO3.ClH/c1-17-6-4-11(5-7-17)20-14(18)9-19-13-3-2-10(15)8-12(13)16;/h2-3,8,11H,4-7,9H2,1H3;1H
InChIKeyKMVWYLIACPRDAG-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.66
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride 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

2,4-D-Dimethylammonium
CID 16180
2,4-D n-butyl ester
CID 7206
2,4-D Isopropyl Ester
CID 7173
Butoxyethanol ester of 2,4-dichlorophenoxyacetic acid
CID 16002
2,4-D, butoxypropyl ester
CID 15997
Meclofenoxate Hydrochloride
CID 19379
2,4-D, propylene glycol butyl ether ester
CID 14840
2,4-D-Methyl
CID 1488
Lifibrate
CID 31060
2,4-D-ethyl
CID 10780
SM 21
CID 4679312
2-(2,4-Dichlorophenoxy)propionic acid butoxyethyl ester
CID 62037

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride (CID 2948699) is (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride is CN1CCC(OC(=O)COc2ccc(Cl)cc2Cl)CC1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride?
The InChIKey is KMVWYLIACPRDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3.ClH/c1-17-6-4-11(5-7-17)20-14(18)9-19-13-3-2-10(15)8-12(13)16;/h2-3,8,11H,4-7,9H2,1H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride?
(1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride has a molecular weight of 354.66 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-(2,4-dichlorophenoxy)acetate;hydrochloride is sourced from PubChem (CID 2948699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).