benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride

C19H20Cl3NO2 — CID 52945169

IUPACbenzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1
InChIInChI=1S/C19H19Cl2NO2.ClH/c20-16-7-6-15(12-17(16)21)19(8-10-22-11-9-19)18(23)24-13-14-4-2-1-3-5-14;/h1-7,12,22H,8-11,13H2;1H
InChIKeyZQFRRSBMIMKMDL-UHFFFAOYSA-N
MW400.73 g/mol
LogP4.78
Rot. Bonds4

About benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride

benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 52945169) has the molecular formula C19H20Cl3NO2 and a molecular weight of 400.73 g/mol. Its IUPAC name is benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride
PubChem CID52945169
Molecular FormulaC19H20Cl3NO2
Molecular Weight400.73 g/mol
Exact Mass399.06
IUPAC Namebenzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1
InChIInChI=1S/C19H19Cl2NO2.ClH/c20-16-7-6-15(12-17(16)21)19(8-10-22-11-9-19)18(23)24-13-14-4-2-1-3-5-14;/h1-7,12,22H,8-11,13H2;1H
InChIKeyZQFRRSBMIMKMDL-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.73
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride (CID 52945169) is benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1.
What is the InChIKey of benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is ZQFRRSBMIMKMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2.ClH/c20-16-7-6-15(12-17(16)21)19(8-10-22-11-9-19)18(23)24-13-14-4-2-1-3-5-14;/h1-7,12,22H,8-11,13H2;1H.
What are the key properties of benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride?
benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 400.73 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 52945169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).