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

C65H83Cl2N3O4 — CID 87632669

IUPAC1-[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
SMILESCOc1cc(CCN2CCC(CCOc3ccccc3)CC2)ccc1Cl.Cc1cccc(CCN2CCC(CCOc3ccccc3)CC2)c1.Clc1cccc(CCN2CCC(CCOc3ccccc3)CC2)c1
InChIInChI=1S/C22H28ClNO2.C22H29NO.C21H26ClNO/c1-25-22-17-19(7-8-21(22)23)11-15-24-13-9-18(10-14-24)12-16-26-20-5-3-2-4-6-20;1-19-6-5-7-21(18-19)12-16-23-14-10-20(11-15-23)13-17-24-22-8-3-2-4-9-22;22-20-6-4-5-19(17-20)11-15-23-13-9-18(10-14-23)12-16-24-21-7-2-1-3-8-21/h2-8,17-18H,9-16H2,1H3;2-9,18,20H,10-17H2,1H3;1-8,17-18H,9-16H2
InChIKeyZKGANMSTRWLXPU-UHFFFAOYSA-N
MW1041.30 g/mol
LogP14.85
Rot. Bonds22

About 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

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 (PubChem CID 87632669) has the molecular formula C65H83Cl2N3O4 and a molecular weight of 1041.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID87632669
Molecular FormulaC65H83Cl2N3O4
Molecular Weight1041.30 g/mol
Exact Mass1039.58
IUPAC Name1-[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
SMILESCOc1cc(CCN2CCC(CCOc3ccccc3)CC2)ccc1Cl.Cc1cccc(CCN2CCC(CCOc3ccccc3)CC2)c1.Clc1cccc(CCN2CCC(CCOc3ccccc3)CC2)c1
InChIInChI=1S/C22H28ClNO2.C22H29NO.C21H26ClNO/c1-25-22-17-19(7-8-21(22)23)11-15-24-13-9-18(10-14-24)12-16-26-20-5-3-2-4-6-20;1-19-6-5-7-21(18-19)12-16-23-14-10-20(11-15-23)13-17-24-22-8-3-2-4-9-22;22-20-6-4-5-19(17-20)11-15-23-13-9-18(10-14-23)12-16-24-21-7-2-1-3-8-21/h2-8,17-18H,9-16H2,1H3;2-9,18,20H,10-17H2,1H3;1-8,17-18H,9-16H2
InChIKeyZKGANMSTRWLXPU-UHFFFAOYSA-N
XLogP14.85
TPSA46.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.30
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(CCN2CCC(CCOc3ccccc3)CC2)ccc1Cl.Cc1cccc(CCN2CCC(CCOc3ccccc3)CC2)c1.Clc1cccc(CCN2CCC(CCOc3ccccc3)CC2)c1.
What is the InChIKey of 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?
The InChIKey is ZKGANMSTRWLXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO2.C22H29NO.C21H26ClNO/c1-25-22-17-19(7-8-21(22)23)11-15-24-13-9-18(10-14-24)12-16-26-20-5-3-2-4-6-20;1-19-6-5-7-21(18-19)12-16-23-14-10-20(11-15-23)13-17-24-22-8-3-2-4-9-22;22-20-6-4-5-19(17-20)11-15-23-13-9-18(10-14-23)12-16-24-21-7-2-1-3-8-21/h2-8,17-18H,9-16H2,1H3;2-9,18,20H,10-17H2,1H3;1-8,17-18H,9-16H2.
What are the key properties of 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?
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 has a molecular weight of 1041.30 g/mol, XLogP of 14.85, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87632669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).