2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride

C18H22ClN3O2 — CID 90643557

IUPAC2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C18H21N3O2.ClH/c22-18(11-15-5-2-1-3-6-15)21-10-9-20-12-16(21)14-23-17-7-4-8-19-13-17;/h1-8,13,16,20H,9-12,14H2;1H
InChIKeyANTMKBNLKOIZAM-UHFFFAOYSA-N
MW347.85 g/mol
LogP1.93
Rot. Bonds5

About 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride

2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 90643557) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID90643557
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C18H21N3O2.ClH/c22-18(11-15-5-2-1-3-6-15)21-10-9-20-12-16(21)14-23-17-7-4-8-19-13-17;/h1-8,13,16,20H,9-12,14H2;1H
InChIKeyANTMKBNLKOIZAM-UHFFFAOYSA-N
XLogP1.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride (CID 90643557) is 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(Cc1ccccc1)N1CCNCC1COc1cccnc1.
What is the InChIKey of 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is ANTMKBNLKOIZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2.ClH/c22-18(11-15-5-2-1-3-6-15)21-10-9-20-12-16(21)14-23-17-7-4-8-19-13-17;/h1-8,13,16,20H,9-12,14H2;1H.
What are the key properties of 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride?
2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 347.85 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 90643557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).