1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride

C12H17ClN2O2 — CID 67980799

IUPAC1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCN(Oc2ccccc2)CC1.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-11(15)13-7-9-14(10-8-13)16-12-5-3-2-4-6-12;/h2-6H,7-10H2,1H3;1H
InChIKeyJZJIRCMRRLJIMR-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride

1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride (PubChem CID 67980799) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride
PubChem CID67980799
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCN(Oc2ccccc2)CC1.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-11(15)13-7-9-14(10-8-13)16-12-5-3-2-4-6-12;/h2-6H,7-10H2,1H3;1H
InChIKeyJZJIRCMRRLJIMR-UHFFFAOYSA-N
XLogP1.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-[(1S,2R,3R,5R)-5-amino-2-hydroxy-3-phenoxycyclopentyl]piperazin-1-yl]ethanone;dihydrochloride
CID 171687457
1-[4-(2-phenoxyethoxy)piperidin-1-yl]ethanone
CID 91918409
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride (CID 67980799) is 1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride is CC(=O)N1CCN(Oc2ccccc2)CC1.Cl.
What is the InChIKey of 1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is JZJIRCMRRLJIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c1-11(15)13-7-9-14(10-8-13)16-12-5-3-2-4-6-12;/h2-6H,7-10H2,1H3;1H.
What are the key properties of 1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride?
1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 67980799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).