benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate

C17H26N2O2 — CID 106484437

IUPACbenzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate
SMILESCC(CN1CCNCC1(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(11-19-10-9-18-13-17(19,2)3)16(20)21-12-15-7-5-4-6-8-15/h4-8,14,18H,9-13H2,1-3H3
InChIKeyUNLQRSSZUISBTK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.05
Rot. Bonds5

About benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate

benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate (PubChem CID 106484437) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate
PubChem CID106484437
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namebenzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate
SMILESCC(CN1CCNCC1(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(11-19-10-9-18-13-17(19,2)3)16(20)21-12-15-7-5-4-6-8-15/h4-8,14,18H,9-13H2,1-3H3
InChIKeyUNLQRSSZUISBTK-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-methyl-3-(3-methylpiperazin-1-yl)propanoate
CID 106484436
benzyl 2-methyl-3-[(3R)-3-methylpiperazin-1-yl]propanoate
CID 106484459
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
2-(2,2-dimethylpiperazin-1-yl)-1-phenylethanol
CID 65461803
benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 106484429
benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
CID 106484239
benzyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106484236
benzyl (2R)-2-methyl-3-(1-methylcyclohexyl)propanoate
CID 122394033
benzyl (2S)-2-methyl-3-(1-methylcyclohexyl)propanoate
CID 122394034
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 106484533
benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate
CID 106484119

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate?
The IUPAC name of benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate (CID 106484437) is benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate.
What is the SMILES notation for benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate?
The canonical SMILES for benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate is CC(CN1CCNCC1(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate?
The InChIKey is UNLQRSSZUISBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(11-19-10-9-18-13-17(19,2)3)16(20)21-12-15-7-5-4-6-8-15/h4-8,14,18H,9-13H2,1-3H3.
What are the key properties of benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate?
benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate has a molecular weight of 290.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 106484437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).