dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate

C15H17Cl2NO4 — CID 68503986

IUPACdimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1CCN(C(=O)OC)C(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H17Cl2NO4/c1-21-14(19)9-3-4-18(15(20)22-2)13(7-9)10-5-11(16)8-12(17)6-10/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyYEEIDQROBREFPP-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.69
Rot. Bonds2

About dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate

dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate (PubChem CID 68503986) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate
PubChem CID68503986
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Namedimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1CCN(C(=O)OC)C(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H17Cl2NO4/c1-21-14(19)9-3-4-18(15(20)22-2)13(7-9)10-5-11(16)8-12(17)6-10/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyYEEIDQROBREFPP-UHFFFAOYSA-N
XLogP3.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 2-(4-chloro-3,5-difluorophenyl)piperidine-1,4-dicarboxylate
CID 66734743
dimethyl 2-(3,4,5-trifluorophenyl)piperidine-1,4-dicarboxylate
CID 66734904
dimethyl 2-(4-fluorophenyl)piperidine-1,4-dicarboxylate;2-(4-fluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid
CID 66734931
dimethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxylate;2-[3-fluoro-4-(trifluoromethyl)phenyl]-1-methoxycarbonylpiperidine-4-carboxylic acid
CID 158130940
dimethyl 2-(4-methylsulfonylphenyl)piperidine-1,4-dicarboxylate;methyl 2-(4-methylsulfonylphenyl)piperidine-4-carboxylate;hydrochloride
CID 159146206
dimethyl 2-(2-chloro-4-fluorophenyl)piperidine-1,4-dicarboxylate;methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate;hydrochloride
CID 162092676
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993
methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate
CID 154715478
methyl 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 66731733
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate (CID 68503986) is dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate is COC(=O)C1CCN(C(=O)OC)C(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate?
The InChIKey is YEEIDQROBREFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c1-21-14(19)9-3-4-18(15(20)22-2)13(7-9)10-5-11(16)8-12(17)6-10/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate?
dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate has a molecular weight of 346.21 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3,5-dichlorophenyl)piperidine-1,4-dicarboxylate is sourced from PubChem (CID 68503986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).