[2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate

C20H19ClF4N2O3 — CID 140879659

IUPAC[2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
SMILESC[C@H]1CNCC[C@H]1c1ccc(OC(=O)C(F)(F)F)c(OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C20H19ClF4N2O3/c1-11-9-26-7-6-14(11)16-4-5-17(30-19(28)20(23,24)25)18(27-16)29-10-12-2-3-13(21)8-15(12)22/h2-5,8,11,14,26H,6-7,9-10H2,1H3/t11-,14+/m0/s1
InChIKeyQHTWXUZMRXGSHF-SMDDNHRTSA-N
MW446.83 g/mol
LogP4.63
Rot. Bonds5

About [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate

[2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate (PubChem CID 140879659) has the molecular formula C20H19ClF4N2O3 and a molecular weight of 446.83 g/mol. Its IUPAC name is [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
PubChem CID140879659
Molecular FormulaC20H19ClF4N2O3
Molecular Weight446.83 g/mol
Exact Mass446.10
IUPAC Name[2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
SMILESC[C@H]1CNCC[C@H]1c1ccc(OC(=O)C(F)(F)F)c(OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C20H19ClF4N2O3/c1-11-9-26-7-6-14(11)16-4-5-17(30-19(28)20(23,24)25)18(27-16)29-10-12-2-3-13(21)8-15(12)22/h2-5,8,11,14,26H,6-7,9-10H2,1H3/t11-,14+/m0/s1
InChIKeyQHTWXUZMRXGSHF-SMDDNHRTSA-N
XLogP4.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate with MolForge

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Launch Full Analysis

Related Compounds

2-(2-chloro-4-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 24774730
2-(4-chloro-3-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 24774731
2-(4-chloro-2-fluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 24776019
2-(4-Chloro-2-fluorophenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68594701
6-Methyl-3-(piperidin-3-ylmethoxy)-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 68594815
2-(3-Chloro-2,6-difluorophenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68594877
2-(4-fluoro-2-methylphenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68594912
2-(4-Fluoro-2-methylphenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68594917
2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68596041
2-(4-Chloro-3-fluorophenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596072
2-(4-Chloro-2,6-difluorophenoxy)-6-methyl-3-(piperidin-3-ylmethoxy)pyridine
CID 68596135
2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68596326

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate (CID 140879659) is [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate is C[C@H]1CNCC[C@H]1c1ccc(OC(=O)C(F)(F)F)c(OCc2ccc(Cl)cc2F)n1.
What is the InChIKey of [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
The InChIKey is QHTWXUZMRXGSHF-SMDDNHRTSA-N. The full InChI is InChI=1S/C20H19ClF4N2O3/c1-11-9-26-7-6-14(11)16-4-5-17(30-19(28)20(23,24)25)18(27-16)29-10-12-2-3-13(21)8-15(12)22/h2-5,8,11,14,26H,6-7,9-10H2,1H3/t11-,14+/m0/s1.
What are the key properties of [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
[2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate has a molecular weight of 446.83 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-2-fluorophenyl)methoxy]-6-[(3R,4R)-3-methylpiperidin-4-yl]-3-pyridinyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140879659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).