3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride

C14H21ClN2O2 — CID 119402035

IUPAC3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCc1cccc(OCCC(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-12-3-2-4-13(11-12)18-10-5-14(17)16-8-6-15-7-9-16;/h2-4,11,15H,5-10H2,1H3;1H
InChIKeyXKVKEGXLPRDLLZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.62
Rot. Bonds4

About 3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride

3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 119402035) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID119402035
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCc1cccc(OCCC(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-12-3-2-4-13(11-12)18-10-5-14(17)16-8-6-15-7-9-16;/h2-4,11,15H,5-10H2,1H3;1H
InChIKeyXKVKEGXLPRDLLZ-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418099
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 2759326
3-(3-methylphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672416
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009
1-[4-(3-methylphenoxy)butanoyl]-1,4-diazepan-5-one
CID 62046956
1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 4739992
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447173

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 119402035) is 3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride is Cc1cccc(OCCC(=O)N2CCNCC2)c1.Cl.
What is the InChIKey of 3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is XKVKEGXLPRDLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-12-3-2-4-13(11-12)18-10-5-14(17)16-8-6-15-7-9-16;/h2-4,11,15H,5-10H2,1H3;1H.
What are the key properties of 3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 119402035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).