1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone

C19H20ClFN2O2 — CID 52948843

IUPAC1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone
SMILESO=C(COCc1ccncc1)N1CCC(F)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-17-3-1-16(2-4-17)19(21)7-11-23(12-8-19)18(24)14-25-13-15-5-9-22-10-6-15/h1-6,9-10H,7-8,11-14H2
InChIKeyXZNCMNXNIYRHSH-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.74
Rot. Bonds5

About 1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone

1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone (PubChem CID 52948843) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone
PubChem CID52948843
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone
SMILESO=C(COCc1ccncc1)N1CCC(F)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-17-3-1-16(2-4-17)19(21)7-11-23(12-8-19)18(24)14-25-13-15-5-9-22-10-6-15/h1-6,9-10H,7-8,11-14H2
InChIKeyXZNCMNXNIYRHSH-UHFFFAOYSA-N
XLogP3.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone (CID 52948843) is 1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone is O=C(COCc1ccncc1)N1CCC(F)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone?
The InChIKey is XZNCMNXNIYRHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c20-17-3-1-16(2-4-17)19(21)7-11-23(12-8-19)18(24)14-25-13-15-5-9-22-10-6-15/h1-6,9-10H,7-8,11-14H2.
What are the key properties of 1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone?
1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone has a molecular weight of 362.83 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-4-fluoropiperidin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone is sourced from PubChem (CID 52948843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).