2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol

C19H21Cl3N2O — CID 24862921

IUPAC2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol
SMILESOCCNC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21Cl3N2O/c20-14-3-1-13(2-4-14)19-12-16(23-8-10-25)7-9-24(19)18-6-5-15(21)11-17(18)22/h1-6,11,16,19,23,25H,7-10,12H2
InChIKeyYKAWDDCEIURKGQ-UHFFFAOYSA-N
MW399.75 g/mol
LogP4.94
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol

2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol (PubChem CID 24862921) has the molecular formula C19H21Cl3N2O and a molecular weight of 399.75 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol
PubChem CID24862921
Molecular FormulaC19H21Cl3N2O
Molecular Weight399.75 g/mol
Exact Mass398.07
IUPAC Name2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol
SMILESOCCNC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21Cl3N2O/c20-14-3-1-13(2-4-14)19-12-16(23-8-10-25)7-9-24(19)18-6-5-15(21)11-17(18)22/h1-6,11,16,19,23,25H,7-10,12H2
InChIKeyYKAWDDCEIURKGQ-UHFFFAOYSA-N
XLogP4.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.75
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol (CID 24862921) is 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol is OCCNC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol?
The InChIKey is YKAWDDCEIURKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl3N2O/c20-14-3-1-13(2-4-14)19-12-16(23-8-10-25)7-9-24(19)18-6-5-15(21)11-17(18)22/h1-6,11,16,19,23,25H,7-10,12H2.
What are the key properties of 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol?
2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol has a molecular weight of 399.75 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 24862921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).