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

C19H20Cl3NO — CID 58957033

IUPAC2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20Cl3NO/c20-15-3-1-14(2-4-15)19-11-13(8-10-24)7-9-23(19)18-6-5-16(21)12-17(18)22/h1-6,12-13,19,24H,7-11H2
InChIKeyIIXZEXHBVWDLKH-UHFFFAOYSA-N
MW384.73 g/mol
LogP5.99
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol (PubChem CID 58957033) has the molecular formula C19H20Cl3NO and a molecular weight of 384.73 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol
PubChem CID58957033
Molecular FormulaC19H20Cl3NO
Molecular Weight384.73 g/mol
Exact Mass383.06
IUPAC Name2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20Cl3NO/c20-15-3-1-14(2-4-15)19-11-13(8-10-24)7-9-23(19)18-6-5-16(21)12-17(18)22/h1-6,12-13,19,24H,7-11H2
InChIKeyIIXZEXHBVWDLKH-UHFFFAOYSA-N
XLogP5.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.73
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol (CID 58957033) is 2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol is OCCC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol?
The InChIKey is IIXZEXHBVWDLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3NO/c20-15-3-1-14(2-4-15)19-11-13(8-10-24)7-9-23(19)18-6-5-16(21)12-17(18)22/h1-6,12-13,19,24H,7-11H2.
What are the key properties of 2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol?
2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol has a molecular weight of 384.73 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 58957033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).