RTQYKDVKDXLFOC-UHFFFAOYSA-N

Name: RTQYKDVKDXLFOC-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₂ClF₃N₂O₂ — CID 121418712

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[2-[4-(4-chlorophenoxy)-4-methylpiperidin-1-yl]ethoxy]-3-(trifluoromethyl)pyridine

SMILESCC1(Oc2ccc(Cl)cc2)CCN(CCOc2ncccc2C(F)(F)F)CC1

InChIInChI=1S/C20H22ClF3N2O2/c1-19(28-16-6-4-15(21)5-7-16)8-11-26(12-9-19)13-14-27-18-17(20(22,23)24)3-2-10-25-18/h2-7,10H,8-9,11-14H2,1H3

InChIKeyRTQYKDVKDXLFOC-UHFFFAOYSA-N

MW414.86 g/mol

LogP5.07

Rot. Bonds6

About RTQYKDVKDXLFOC-UHFFFAOYSA-N

RTQYKDVKDXLFOC-UHFFFAOYSA-N (PubChem CID 121418712) has the molecular formula C₂₀H₂₂ClF₃N₂O₂ and a molecular weight of 414.86 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorophenoxy)-4-methylpiperidin-1-yl]ethoxy]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name	RTQYKDVKDXLFOC-UHFFFAOYSA-N
PubChem CID	121418712
Molecular Formula	C₂₀H₂₂ClF₃N₂O₂
Molecular Weight	414.86 g/mol
Exact Mass	414.13
IUPAC Name	2-[2-[4-(4-chlorophenoxy)-4-methylpiperidin-1-yl]ethoxy]-3-(trifluoromethyl)pyridine
SMILES	CC1(Oc2ccc(Cl)cc2)CCN(CCOc2ncccc2C(F)(F)F)CC1
InChI	InChI=1S/C20H22ClF3N2O2/c1-19(28-16-6-4-15(21)5-7-16)8-11-26(12-9-19)13-14-27-18-17(20(22,23)24)3-2-10-25-18/h2-7,10H,8-9,11-14H2,1H3
InChIKey	RTQYKDVKDXLFOC-UHFFFAOYSA-N
XLogP	5.07
TPSA	34.59 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.86
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of RTQYKDVKDXLFOC-UHFFFAOYSA-N?

The IUPAC name of RTQYKDVKDXLFOC-UHFFFAOYSA-N (CID 121418712) is 2-[2-[4-(4-chlorophenoxy)-4-methylpiperidin-1-yl]ethoxy]-3-(trifluoromethyl)pyridine.

What is the SMILES notation for RTQYKDVKDXLFOC-UHFFFAOYSA-N?

The canonical SMILES for RTQYKDVKDXLFOC-UHFFFAOYSA-N is CC1(Oc2ccc(Cl)cc2)CCN(CCOc2ncccc2C(F)(F)F)CC1.

What is the InChIKey of RTQYKDVKDXLFOC-UHFFFAOYSA-N?

The InChIKey is RTQYKDVKDXLFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N2O2/c1-19(28-16-6-4-15(21)5-7-16)8-11-26(12-9-19)13-14-27-18-17(20(22,23)24)3-2-10-25-18/h2-7,10H,8-9,11-14H2,1H3.

What are the key properties of RTQYKDVKDXLFOC-UHFFFAOYSA-N?

RTQYKDVKDXLFOC-UHFFFAOYSA-N has a molecular weight of 414.86 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for RTQYKDVKDXLFOC-UHFFFAOYSA-N is sourced from PubChem (CID 121418712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 121418712 — identifiers, structure, computed properties (public domain)

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