1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine

C16H24N2O — CID 167753879

IUPAC1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
SMILESCN1CCN(CC2OC2(C)C)C(c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-16(2)15(19-16)12-18-10-9-17(3)11-14(18)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChIKeyZIFMKIJUWYWJAS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.15
Rot. Bonds3

About 1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine

1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine (PubChem CID 167753879) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
PubChem CID167753879
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
SMILESCN1CCN(CC2OC2(C)C)C(c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-16(2)15(19-16)12-18-10-9-17(3)11-14(18)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChIKeyZIFMKIJUWYWJAS-UHFFFAOYSA-N
XLogP2.15
TPSA19.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine
CID 66235294
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62425279
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
CID 43650407
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62263578
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine
CID 103366096

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine?
The IUPAC name of 1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine (CID 167753879) is 1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine?
The canonical SMILES for 1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine is CN1CCN(CC2OC2(C)C)C(c2ccccc2)C1.
What is the InChIKey of 1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine?
The InChIKey is ZIFMKIJUWYWJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)15(19-16)12-18-10-9-17(3)11-14(18)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3.
What are the key properties of 1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine?
1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine has a molecular weight of 260.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine is sourced from PubChem (CID 167753879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).