(3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone

C19H17Cl4NO2 — CID 10477960

IUPAC(3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
SMILESCN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3
InChIKeyNQHSMRHMUBKGPZ-UHFFFAOYSA-N
MW433.16 g/mol
LogP5.32
Rot. Bonds3

About (3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone

(3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone (PubChem CID 10477960) has the molecular formula C19H17Cl4NO2 and a molecular weight of 433.16 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
PubChem CID10477960
Molecular FormulaC19H17Cl4NO2
Molecular Weight433.16 g/mol
Exact Mass431.00
IUPAC Name(3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
SMILESCN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3
InChIKeyNQHSMRHMUBKGPZ-UHFFFAOYSA-N
XLogP5.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.16
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Haloperidol
CID 3559
Haloperidol hydrochloride
CID 11495267
3-Benzoyl-4-hydroxy-1-methyl-4-phenylpiperidine
CID 20784
4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(2-fluorophenyl)butan-1-one
CID 71315272
4-[4-(3,4-Dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 13932579
N-[2-(3,4-Dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidino)butyl]-N-methylbenzamide
CID 18964186
4-[4-(3-Chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 154395193
(1-Ethyl-4-hydroxy-4-phenyl-piperidin-3-yl)-phenyl-methanone
CID 370028
(4-Chlorophenyl)[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
CID 2937086
N-n-Butyl haloperidol iodide
CID 11671286
4-[4-(3,5-Dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820
4-[4-(2,3-Dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155562484

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone (CID 10477960) is (3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone is CN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone?
The InChIKey is NQHSMRHMUBKGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl4NO2/c1-24-7-6-19(26,12-3-5-15(21)17(23)9-12)13(10-24)18(25)11-2-4-14(20)16(22)8-11/h2-5,8-9,13,26H,6-7,10H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone?
(3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone has a molecular weight of 433.16 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone is sourced from PubChem (CID 10477960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).