(2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol

C22H23Cl3N2O — CID 143508648

IUPAC(2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol
SMILESC=C/C=C(\O)CNC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H23Cl3N2O/c1-2-3-19(28)14-26-18-10-11-27(21-9-8-17(24)12-20(21)25)22(13-18)15-4-6-16(23)7-5-15/h2-9,12,18,22,26,28H,1,10-11,13-14H2/b19-3-
InChIKeyQSSUYDRLHPWOTG-OQOIWIOPSA-N
MW437.80 g/mol
LogP6.57
Rot. Bonds6

About (2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol

(2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol (PubChem CID 143508648) has the molecular formula C22H23Cl3N2O and a molecular weight of 437.80 g/mol. Its IUPAC name is (2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol
PubChem CID143508648
Molecular FormulaC22H23Cl3N2O
Molecular Weight437.80 g/mol
Exact Mass436.09
IUPAC Name(2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol
SMILESC=C/C=C(\O)CNC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H23Cl3N2O/c1-2-3-19(28)14-26-18-10-11-27(21-9-8-17(24)12-20(21)25)22(13-18)15-4-6-16(23)7-5-15/h2-9,12,18,22,26,28H,1,10-11,13-14H2/b19-3-
InChIKeyQSSUYDRLHPWOTG-OQOIWIOPSA-N
XLogP6.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.80
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol?
The IUPAC name of (2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol (CID 143508648) is (2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol.
What is the SMILES notation for (2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol?
The canonical SMILES for (2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol is C=C/C=C(\O)CNC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of (2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol?
The InChIKey is QSSUYDRLHPWOTG-OQOIWIOPSA-N. The full InChI is InChI=1S/C22H23Cl3N2O/c1-2-3-19(28)14-26-18-10-11-27(21-9-8-17(24)12-20(21)25)22(13-18)15-4-6-16(23)7-5-15/h2-9,12,18,22,26,28H,1,10-11,13-14H2/b19-3-.
What are the key properties of (2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol?
(2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol has a molecular weight of 437.80 g/mol, XLogP of 6.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol is sourced from PubChem (CID 143508648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).