[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone

C32H36Cl2N2O3 — CID 44528720

IUPAC[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCOC(CCN3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C32H36Cl2N2O3/c1-2-38-28-11-8-26(9-12-28)31(37)36-20-21-39-32(23-36,27-10-13-29(33)30(34)22-27)16-19-35-17-14-25(15-18-35)24-6-4-3-5-7-24/h3-13,22,25H,2,14-21,23H2,1H3
InChIKeyDGHVTGUWSIZXBN-UHFFFAOYSA-N
MW567.56 g/mol
LogP7.03
Rot. Bonds8

About [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone

[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone (PubChem CID 44528720) has the molecular formula C32H36Cl2N2O3 and a molecular weight of 567.56 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone
PubChem CID44528720
Molecular FormulaC32H36Cl2N2O3
Molecular Weight567.56 g/mol
Exact Mass566.21
IUPAC Name[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCOC(CCN3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C32H36Cl2N2O3/c1-2-38-28-11-8-26(9-12-28)31(37)36-20-21-39-32(23-36,27-10-13-29(33)30(34)22-27)16-19-35-17-14-25(15-18-35)24-6-4-3-5-7-24/h3-13,22,25H,2,14-21,23H2,1H3
InChIKeyDGHVTGUWSIZXBN-UHFFFAOYSA-N
XLogP7.03
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.56
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone (CID 44528720) is [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCOC(CCN3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is DGHVTGUWSIZXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Cl2N2O3/c1-2-38-28-11-8-26(9-12-28)31(37)36-20-21-39-32(23-36,27-10-13-29(33)30(34)22-27)16-19-35-17-14-25(15-18-35)24-6-4-3-5-7-24/h3-13,22,25H,2,14-21,23H2,1H3.
What are the key properties of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone?
[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 567.56 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 44528720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).