4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine

C18H26Cl2N2O — CID 118714018

IUPAC4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine
SMILESClc1ccc(C(CCN2CCCCC2)N2CCOCC2)cc1Cl
InChIInChI=1S/C18H26Cl2N2O/c19-16-5-4-15(14-17(16)20)18(22-10-12-23-13-11-22)6-9-21-7-2-1-3-8-21/h4-5,14,18H,1-3,6-13H2
InChIKeyODTKQPAQIAKYDZ-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.24
Rot. Bonds5

About 4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine

4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine (PubChem CID 118714018) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine
PubChem CID118714018
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine
SMILESClc1ccc(C(CCN2CCCCC2)N2CCOCC2)cc1Cl
InChIInChI=1S/C18H26Cl2N2O/c19-16-5-4-15(14-17(16)20)18(22-10-12-23-13-11-22)6-9-21-7-2-1-3-8-21/h4-5,14,18H,1-3,6-13H2
InChIKeyODTKQPAQIAKYDZ-UHFFFAOYSA-N
XLogP4.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine (CID 118714018) is 4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine is Clc1ccc(C(CCN2CCCCC2)N2CCOCC2)cc1Cl.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine?
The InChIKey is ODTKQPAQIAKYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c19-16-5-4-15(14-17(16)20)18(22-10-12-23-13-11-22)6-9-21-7-2-1-3-8-21/h4-5,14,18H,1-3,6-13H2.
What are the key properties of 4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine?
4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine has a molecular weight of 357.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)-3-piperidin-1-ylpropyl]morpholine is sourced from PubChem (CID 118714018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).