ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate

C15H19Cl2NO2 — CID 10403452

IUPACethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCN(C)CC1
InChIInChI=1S/C15H19Cl2NO2/c1-3-20-14(19)15(6-8-18(2)9-7-15)11-4-5-12(16)13(17)10-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyCVNBITYLPWBHNX-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.52
Rot. Bonds3

About ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate

ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate (PubChem CID 10403452) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate
PubChem CID10403452
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Nameethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCN(C)CC1
InChIInChI=1S/C15H19Cl2NO2/c1-3-20-14(19)15(6-8-18(2)9-7-15)11-4-5-12(16)13(17)10-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyCVNBITYLPWBHNX-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Meperidine Hydrochloride
CID 5750
3,4-Dichloromethylphenidate
CID 44296390
Methyl alpha-(3,4-dichlorophenyl)-2-piperidineacetate
CID 44418862
Methyl 2-[(4-benzylpiperidin-1-yl)methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 44420942
3,4-dichloromethylphenidate HCl
CID 49796220
AC-915
CID 5236783
4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carboxylic acid ethyl ester
CID 11267111
(3S,4S)-methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxylate
CID 44429174
1-Methylpiperidin-4-YL 2-(4-chlorophenyl)acetate hydrochloride
CID 2948685
methyl (2S)-2-(3,4-dichlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 10088530
[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-acetic acid 3-phenyl-propyl ester
CID 10340085
Ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
CID 10405782

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate (CID 10403452) is ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCN(C)CC1.
What is the InChIKey of ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate?
The InChIKey is CVNBITYLPWBHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-3-20-14(19)15(6-8-18(2)9-7-15)11-4-5-12(16)13(17)10-11/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate?
ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate has a molecular weight of 316.23 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 10403452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).