1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine

C14H20N2O2 — CID 10243741

IUPAC1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
SMILESCOc1cccc(N2CCN(CC3CO3)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-17-13-4-2-3-12(9-13)16-7-5-15(6-8-16)10-14-11-18-14/h2-4,9,14H,5-8,10-11H2,1H3
InChIKeyWYICHZLUWCVDFP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine

1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine (PubChem CID 10243741) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
PubChem CID10243741
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
SMILESCOc1cccc(N2CCN(CC3CO3)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-17-13-4-2-3-12(9-13)16-7-5-15(6-8-16)10-14-11-18-14/h2-4,9,14H,5-8,10-11H2,1H3
InChIKeyWYICHZLUWCVDFP-UHFFFAOYSA-N
XLogP1.22
TPSA28.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
[4-(3-methoxyphenyl)piperazin-1-yl]methanesulfinate
CID 174627257
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine
CID 171691223
1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715014
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-(3-methoxyphenyl)azepane
CID 57276431
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087
1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine
CID 1375734

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine (CID 10243741) is 1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine is COc1cccc(N2CCN(CC3CO3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine?
The InChIKey is WYICHZLUWCVDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-13-4-2-3-12(9-13)16-7-5-15(6-8-16)10-14-11-18-14/h2-4,9,14H,5-8,10-11H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine?
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine has a molecular weight of 248.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine is sourced from PubChem (CID 10243741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).