2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

C25H24ClF3N2O — CID 24782411

IUPAC2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2cccnc2Cl)c1
InChIInChI=1S/C25H24ClF3N2O/c26-23-22(7-4-10-31-23)19-13-18(14-21(15-19)25(27,28)29)16-32-17-24(8-11-30-12-9-24)20-5-2-1-3-6-20/h1-7,10,13-15,30H,8-9,11-12,16-17H2
InChIKeyQKJKGKZLCHHLMN-UHFFFAOYSA-N
MW460.93 g/mol
LogP6.26
Rot. Bonds6

About 2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 24782411) has the molecular formula C25H24ClF3N2O and a molecular weight of 460.93 g/mol. Its IUPAC name is 2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
PubChem CID24782411
Molecular FormulaC25H24ClF3N2O
Molecular Weight460.93 g/mol
Exact Mass460.15
IUPAC Name2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2cccnc2Cl)c1
InChIInChI=1S/C25H24ClF3N2O/c26-23-22(7-4-10-31-23)19-13-18(14-21(15-19)25(27,28)29)16-32-17-24(8-11-30-12-9-24)20-5-2-1-3-6-20/h1-7,10,13-15,30H,8-9,11-12,16-17H2
InChIKeyQKJKGKZLCHHLMN-UHFFFAOYSA-N
XLogP6.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.93
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 24785712
4-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785977
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-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 58993510
6-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 58993629
4-Chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine
CID 71541372
1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine
CID 75405292
4-[[5-(3,5-Difluorophenyl)piperidin-3-yl]methoxymethyl]pyridine
CID 10236665
3-[2-Phenyl-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]phenyl]pyridine
CID 20485619
3-[2-Phenyl-6-[[3-(trifluoromethyl)phenyl]methoxymethyl]phenyl]pyridine
CID 20485653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (CID 24782411) is 2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is QKJKGKZLCHHLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N2O/c26-23-22(7-4-10-31-23)19-13-18(14-21(15-19)25(27,28)29)16-32-17-24(8-11-30-12-9-24)20-5-2-1-3-6-20/h1-7,10,13-15,30H,8-9,11-12,16-17H2.
What are the key properties of 2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 460.93 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 24782411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).