ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride

C15H21Cl2NO2 — CID 11267110

IUPACethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccc(Cl)cc2)CCN(C)CC1.Cl
InChIInChI=1S/C15H20ClNO2.ClH/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12;/h4-7H,3,8-11H2,1-2H3;1H
InChIKeyDEKRJQMFOHTRRN-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.29
Rot. Bonds3

About ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride

ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride (PubChem CID 11267110) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
PubChem CID11267110
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Nameethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccc(Cl)cc2)CCN(C)CC1.Cl
InChIInChI=1S/C15H20ClNO2.ClH/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12;/h4-7H,3,8-11H2,1-2H3;1H
InChIKeyDEKRJQMFOHTRRN-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride (CID 11267110) is ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(c2ccc(Cl)cc2)CCN(C)CC1.Cl.
What is the InChIKey of ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is DEKRJQMFOHTRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2.ClH/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12;/h4-7H,3,8-11H2,1-2H3;1H.
What are the key properties of ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride?
ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 318.24 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)-1-methylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 11267110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).