1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride

C20H24Cl3NO — CID 14698959

IUPAC1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(C(OCCN2CCCCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23Cl2NO.ClH/c21-18-8-4-16(5-9-18)20(17-6-10-19(22)11-7-17)24-15-14-23-12-2-1-3-13-23;/h4-11,20H,1-3,12-15H2;1H
InChIKeyJYVWXLOVRBOLCT-UHFFFAOYSA-N
MW400.78 g/mol
LogP6.01
Rot. Bonds6

About 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride

1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride (PubChem CID 14698959) has the molecular formula C20H24Cl3NO and a molecular weight of 400.78 g/mol. Its IUPAC name is 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
PubChem CID14698959
Molecular FormulaC20H24Cl3NO
Molecular Weight400.78 g/mol
Exact Mass399.09
IUPAC Name1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(C(OCCN2CCCCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23Cl2NO.ClH/c21-18-8-4-16(5-9-18)20(17-6-10-19(22)11-7-17)24-15-14-23-12-2-1-3-13-23;/h4-11,20H,1-3,12-15H2;1H
InChIKeyJYVWXLOVRBOLCT-UHFFFAOYSA-N
XLogP6.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.78
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride (CID 14698959) is 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride is Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride?
The InChIKey is JYVWXLOVRBOLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO.ClH/c21-18-8-4-16(5-9-18)20(17-6-10-19(22)11-7-17)24-15-14-23-12-2-1-3-13-23;/h4-11,20H,1-3,12-15H2;1H.
What are the key properties of 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride?
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride has a molecular weight of 400.78 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 14698959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).