(3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol

C17H19ClFN3O2 — CID 143595116

IUPAC(3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol
SMILESOC(c1cccc(Cl)c1F)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H19ClFN3O2/c18-15-5-1-4-14(16(15)19)17(23)22-8-7-21-9-12(22)11-24-13-3-2-6-20-10-13/h1-6,10,12,17,21,23H,7-9,11H2
InChIKeyQLDDAKHRHWAIAH-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.22
Rot. Bonds5

About (3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol

(3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol (PubChem CID 143595116) has the molecular formula C17H19ClFN3O2 and a molecular weight of 351.81 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol
PubChem CID143595116
Molecular FormulaC17H19ClFN3O2
Molecular Weight351.81 g/mol
Exact Mass351.11
IUPAC Name(3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol
SMILESOC(c1cccc(Cl)c1F)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H19ClFN3O2/c18-15-5-1-4-14(16(15)19)17(23)22-8-7-21-9-12(22)11-24-13-3-2-6-20-10-13/h1-6,10,12,17,21,23H,7-9,11H2
InChIKeyQLDDAKHRHWAIAH-UHFFFAOYSA-N
XLogP2.22
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol (CID 143595116) is (3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol is OC(c1cccc(Cl)c1F)N1CCNCC1COc1cccnc1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol?
The InChIKey is QLDDAKHRHWAIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O2/c18-15-5-1-4-14(16(15)19)17(23)22-8-7-21-9-12(22)11-24-13-3-2-6-20-10-13/h1-6,10,12,17,21,23H,7-9,11H2.
What are the key properties of (3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol?
(3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol has a molecular weight of 351.81 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanol is sourced from PubChem (CID 143595116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).