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

C20H23Cl3N2O — CID 24862922

IUPAC2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(CO)NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23Cl3N2O/c1-13(12-26)24-17-8-9-25(19-7-6-16(22)10-18(19)23)20(11-17)14-2-4-15(21)5-3-14/h2-7,10,13,17,20,24,26H,8-9,11-12H2,1H3
InChIKeyNILDEQBPLPOGMO-UHFFFAOYSA-N
MW413.78 g/mol
LogP5.33
Rot. Bonds5

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

2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 24862922) has the molecular formula C20H23Cl3N2O and a molecular weight of 413.78 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID24862922
Molecular FormulaC20H23Cl3N2O
Molecular Weight413.78 g/mol
Exact Mass412.09
IUPAC Name2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(CO)NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23Cl3N2O/c1-13(12-26)24-17-8-9-25(19-7-6-16(22)10-18(19)23)20(11-17)14-2-4-15(21)5-3-14/h2-7,10,13,17,20,24,26H,8-9,11-12H2,1H3
InChIKeyNILDEQBPLPOGMO-UHFFFAOYSA-N
XLogP5.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.78
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol
CID 24862921
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide
CID 143508644
2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
CID 24863936
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide
CID 71176016
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 24862762
(2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol
CID 143508648
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide
CID 71176163
(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
CID 58956932
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine
CID 24863080
N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide
CID 58956953
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 59261899

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol (CID 24862922) is 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol is CC(CO)NC1CCN(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]propan-1-ol?
The InChIKey is NILDEQBPLPOGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl3N2O/c1-13(12-26)24-17-8-9-25(19-7-6-16(22)10-18(19)23)20(11-17)14-2-4-15(21)5-3-14/h2-7,10,13,17,20,24,26H,8-9,11-12H2,1H3.
What are the key properties of 2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol?
2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 413.78 g/mol, XLogP of 5.33, 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]propan-1-ol is sourced from PubChem (CID 24862922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).