4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile

C100H128ClN5O13 — CID 173113381

IUPAC4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile
SMILESCOc1ccc(CCN2CCC(CCOc3ccc(-c4ccccc4)cc3)CC2)cc1OC.COc1ccc(CCN2CCC(CCOc3ccc(C#N)cc3)CC2)cc1OC.COc1ccc(CCN2CCC(CCOc3ccc(Cl)cc3)CC2)cc1OC.COc1ccc(OCCC2CCN(CCc3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C29H35NO3.C24H30N2O3.C24H33NO4.C23H30ClNO3/c1-31-28-13-8-24(22-29(28)32-2)16-20-30-18-14-23(15-19-30)17-21-33-27-11-9-26(10-12-27)25-6-4-3-5-7-25;1-27-23-8-5-20(17-24(23)28-2)11-15-26-13-9-19(10-14-26)12-16-29-22-6-3-21(18-25)4-7-22;1-26-21-5-7-22(8-6-21)29-17-13-19-10-14-25(15-11-19)16-12-20-4-9-23(27-2)24(18-20)28-3;1-26-22-8-3-19(17-23(22)27-2)11-15-25-13-9-18(10-14-25)12-16-28-21-6-4-20(24)5-7-21/h3-13,22-23H,14-21H2,1-2H3;3-8,17,19H,9-16H2,1-2H3;4-9,18-19H,10-17H2,1-3H3;3-8,17-18H,9-16H2,1-2H3
InChIKeyLCJPNWSEQFNPJO-UHFFFAOYSA-N
MW1643.60 g/mol
LogP19.91
Rot. Bonds38

About 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile

4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile (PubChem CID 173113381) has the molecular formula C100H128ClN5O13 and a molecular weight of 1643.60 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile
PubChem CID173113381
Molecular FormulaC100H128ClN5O13
Molecular Weight1643.60 g/mol
Exact Mass1641.92
IUPAC Name4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile
SMILESCOc1ccc(CCN2CCC(CCOc3ccc(-c4ccccc4)cc3)CC2)cc1OC.COc1ccc(CCN2CCC(CCOc3ccc(C#N)cc3)CC2)cc1OC.COc1ccc(CCN2CCC(CCOc3ccc(Cl)cc3)CC2)cc1OC.COc1ccc(OCCC2CCN(CCc3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C29H35NO3.C24H30N2O3.C24H33NO4.C23H30ClNO3/c1-31-28-13-8-24(22-29(28)32-2)16-20-30-18-14-23(15-19-30)17-21-33-27-11-9-26(10-12-27)25-6-4-3-5-7-25;1-27-23-8-5-20(17-24(23)28-2)11-15-26-13-9-19(10-14-26)12-16-29-22-6-3-21(18-25)4-7-22;1-26-21-5-7-22(8-6-21)29-17-13-19-10-14-25(15-11-19)16-12-20-4-9-23(27-2)24(18-20)28-3;1-26-22-8-3-19(17-23(22)27-2)11-15-25-13-9-18(10-14-25)12-16-28-21-6-4-20(24)5-7-21/h3-13,22-23H,14-21H2,1-2H3;3-8,17,19H,9-16H2,1-2H3;4-9,18-19H,10-17H2,1-3H3;3-8,17-18H,9-16H2,1-2H3
InChIKeyLCJPNWSEQFNPJO-UHFFFAOYSA-N
XLogP19.91
TPSA156.74 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds38
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001643.60
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile with MolForge

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine
CID 54591654
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 54591726
1-[2-(4-chloro-3-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)piperidine;1-[2-(3-chlorophenyl)ethyl]-4-(2-phenoxyethyl)piperidine;1-[2-(3-methylphenyl)ethyl]-4-(2-phenoxyethyl)piperidine
CID 87632669
anisole;1-ethyl-4-(2-phenoxyethyl)piperidine
CID 174661948
4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile
CID 20992555
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 9398842
2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dihydroisoindole-5-carbonitrile
CID 94778704
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline
CID 66996313
1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile
CID 21201418

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile?
The IUPAC name of 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile (CID 173113381) is 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile is COc1ccc(CCN2CCC(CCOc3ccc(-c4ccccc4)cc3)CC2)cc1OC.COc1ccc(CCN2CCC(CCOc3ccc(C#N)cc3)CC2)cc1OC.COc1ccc(CCN2CCC(CCOc3ccc(Cl)cc3)CC2)cc1OC.COc1ccc(OCCC2CCN(CCc3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile?
The InChIKey is LCJPNWSEQFNPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3.C24H30N2O3.C24H33NO4.C23H30ClNO3/c1-31-28-13-8-24(22-29(28)32-2)16-20-30-18-14-23(15-19-30)17-21-33-27-11-9-26(10-12-27)25-6-4-3-5-7-25;1-27-23-8-5-20(17-24(23)28-2)11-15-26-13-9-19(10-14-26)12-16-29-22-6-3-21(18-25)4-7-22;1-26-21-5-7-22(8-6-21)29-17-13-19-10-14-25(15-11-19)16-12-20-4-9-23(27-2)24(18-20)28-3;1-26-22-8-3-19(17-23(22)27-2)11-15-25-13-9-18(10-14-25)12-16-28-21-6-4-20(24)5-7-21/h3-13,22-23H,14-21H2,1-2H3;3-8,17,19H,9-16H2,1-2H3;4-9,18-19H,10-17H2,1-3H3;3-8,17-18H,9-16H2,1-2H3.
What are the key properties of 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile?
4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile has a molecular weight of 1643.60 g/mol, XLogP of 19.91, 38 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-methoxyphenoxy)ethyl]piperidine;1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine;4-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethoxy]benzonitrile is sourced from PubChem (CID 173113381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).