1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one

C19H30N2O2 — CID 110354446

IUPAC1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
SMILESCOCCN1C(C)CN(C(=O)C(C)Cc2ccccc2)CC1C
InChIInChI=1S/C19H30N2O2/c1-15(12-18-8-6-5-7-9-18)19(22)20-13-16(2)21(10-11-23-4)17(3)14-20/h5-9,15-17H,10-14H2,1-4H3
InChIKeyKYAOYZIKYJJXDA-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.43
Rot. Bonds6

About 1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one

1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one (PubChem CID 110354446) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
PubChem CID110354446
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
SMILESCOCCN1C(C)CN(C(=O)C(C)Cc2ccccc2)CC1C
InChIInChI=1S/C19H30N2O2/c1-15(12-18-8-6-5-7-9-18)19(22)20-13-16(2)21(10-11-23-4)17(3)14-20/h5-9,15-17H,10-14H2,1-4H3
InChIKeyKYAOYZIKYJJXDA-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-diphenylpropan-1-one
CID 110290192
1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110393954
2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119880268
4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide
CID 110290209
1-[(3S,5R)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-4-(2-phenylethoxy)butan-1-one
CID 97023983
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110308401
(2-chlorophenyl)-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 110290214
3,5-dimethyl-4-(2-phenylmethoxyethyl)piperazine-1-carboxylic acid
CID 90345091
2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110308392
[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 110413017
phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate
CID 110413023

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one (CID 110354446) is 1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one is COCCN1C(C)CN(C(=O)C(C)Cc2ccccc2)CC1C.
What is the InChIKey of 1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one?
The InChIKey is KYAOYZIKYJJXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(12-18-8-6-5-7-9-18)19(22)20-13-16(2)21(10-11-23-4)17(3)14-20/h5-9,15-17H,10-14H2,1-4H3.
What are the key properties of 1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one?
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one has a molecular weight of 318.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 110354446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).