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

C20H25Cl2NO — CID 90150517

IUPAC1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(-c2ccccc2COCCN2CCCCC2)cc1
InChIInChI=1S/C20H24ClNO.ClH/c21-19-10-8-17(9-11-19)20-7-3-2-6-18(20)16-23-15-14-22-12-4-1-5-13-22;/h2-3,6-11H,1,4-5,12-16H2;1H
InChIKeyGHZHBWJGFNGTMJ-UHFFFAOYSA-N
MW366.33 g/mol
LogP5.43
Rot. Bonds6

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

1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride (PubChem CID 90150517) has the molecular formula C20H25Cl2NO and a molecular weight of 366.33 g/mol. Its IUPAC name is 1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride
PubChem CID90150517
Molecular FormulaC20H25Cl2NO
Molecular Weight366.33 g/mol
Exact Mass365.13
IUPAC Name1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(-c2ccccc2COCCN2CCCCC2)cc1
InChIInChI=1S/C20H24ClNO.ClH/c21-19-10-8-17(9-11-19)20-7-3-2-6-18(20)16-23-15-14-22-12-4-1-5-13-22;/h2-3,6-11H,1,4-5,12-16H2;1H
InChIKeyGHZHBWJGFNGTMJ-UHFFFAOYSA-N
XLogP5.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
CID 18435678
1-[2-[(17-chloro-3,13-dithiatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-4-yl)methoxy]ethyl]piperidine;hydrochloride
CID 10184181
1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine
CID 2582694
3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylmethoxyethyl)piperidine
CID 110089792
1-[2-[(16,17-dichloro-3,13-dithiatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-yl)methoxy]ethyl]piperidine;hydrochloride
CID 10185984
but-2-enedioic acid;(4-fluorophenyl)-[1-[2-[[2-(4-fluorophenyl)phenyl]methoxy]ethyl]piperidin-4-yl]methanone
CID 67946891
[2-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
CID 16793650
1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine
CID 24985582
1-[2-[(16,17-dichloro-3,13-dithiatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-yl)methoxy]ethyl]piperidine
CID 10185985
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride (CID 90150517) is 1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride is Cl.Clc1ccc(-c2ccccc2COCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride?
The InChIKey is GHZHBWJGFNGTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO.ClH/c21-19-10-8-17(9-11-19)20-7-3-2-6-18(20)16-23-15-14-22-12-4-1-5-13-22;/h2-3,6-11H,1,4-5,12-16H2;1H.
What are the key properties of 1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride?
1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride has a molecular weight of 366.33 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 90150517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).