(4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone

C16H22N2O2 — CID 154880252

IUPAC(4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone
SMILESCC1(C)CN(Cc2ccccc2)CCN1C(=O)C1CO1
InChIInChI=1S/C16H22N2O2/c1-16(2)12-17(10-13-6-4-3-5-7-13)8-9-18(16)15(19)14-11-20-14/h3-7,14H,8-12H2,1-2H3
InChIKeyPUZFDROZNVMCHN-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.51
Rot. Bonds3

About (4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone

(4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone (PubChem CID 154880252) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone.

Molecular Properties

Compound Name(4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone
PubChem CID154880252
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone
SMILESCC1(C)CN(Cc2ccccc2)CCN1C(=O)C1CO1
InChIInChI=1S/C16H22N2O2/c1-16(2)12-17(10-13-6-4-3-5-7-13)8-9-18(16)15(19)14-11-20-14/h3-7,14H,8-12H2,1-2H3
InChIKeyPUZFDROZNVMCHN-UHFFFAOYSA-N
XLogP1.51
TPSA36.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.51
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

(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
4-benzyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 123621487
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
2-[1-benzyl-3-(nitromethyl)pyrrolidin-3-yl]acetic acid
CID 69082275
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol
CID 169228655
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
(1R,2S,3R,4R)-3-(4-benzylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99872547
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone?
The IUPAC name of (4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone (CID 154880252) is (4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone.
What is the SMILES notation for (4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone?
The canonical SMILES for (4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone is CC1(C)CN(Cc2ccccc2)CCN1C(=O)C1CO1.
What is the InChIKey of (4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone?
The InChIKey is PUZFDROZNVMCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2)12-17(10-13-6-4-3-5-7-13)8-9-18(16)15(19)14-11-20-14/h3-7,14H,8-12H2,1-2H3.
What are the key properties of (4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone?
(4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2,2-dimethylpiperazin-1-yl)-(oxiran-2-yl)methanone is sourced from PubChem (CID 154880252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).