2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

C20H21Cl2F3N2O — CID 71541370

IUPAC2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(Cl)n2)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21Cl2F3N2O/c1-27-8-6-19(7-9-27,14-2-4-16(21)5-3-14)13-28-12-17-10-15(20(23,24)25)11-18(22)26-17/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyBVALXLKHALQQPF-UHFFFAOYSA-N
MW433.30 g/mol
LogP5.59
Rot. Bonds5

About 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 71541370) has the molecular formula C20H21Cl2F3N2O and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID71541370
Molecular FormulaC20H21Cl2F3N2O
Molecular Weight433.30 g/mol
Exact Mass432.10
IUPAC Name2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(Cl)n2)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21Cl2F3N2O/c1-27-8-6-19(7-9-27,14-2-4-16(21)5-3-14)13-28-12-17-10-15(20(23,24)25)11-18(22)26-17/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyBVALXLKHALQQPF-UHFFFAOYSA-N
XLogP5.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.30
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbinoxamine
CID 2564
(S)-Carbinoxamine
CID 170336
2-Cyclopropyl-6-(((4-(4-fluorophenyl)-1-methylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine
CID 24800231
2-Cyclopentyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24800398
2-Chloro-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24800927
2-Chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24801101
2,6-Dichloro-4-[(4-phenylpiperidin-4-yl)methoxymethyl]pyridine
CID 24801102
2-Chloro-6-(((4-(4-fluorophenyl)-1-methylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine
CID 24801457
6-[(1-Methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 24801459
2-Chloro-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24801626
4-Chloro-2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine
CID 24801627
2-Chloro-6-[[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24801792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (CID 71541370) is 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is CN1CCC(COCc2cc(C(F)(F)F)cc(Cl)n2)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is BVALXLKHALQQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2F3N2O/c1-27-8-6-19(7-9-27,14-2-4-16(21)5-3-14)13-28-12-17-10-15(20(23,24)25)11-18(22)26-17/h2-5,10-11H,6-9,12-13H2,1H3.
What are the key properties of 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 433.30 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[4-(4-chlorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 71541370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).