methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate

C12H24N2O2 — CID 61002266

IUPACmethyl 2,4-dimethyl-2-piperazin-1-ylpentanoate
SMILESCOC(=O)C(C)(CC(C)C)N1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)9-12(3,11(15)16-4)14-7-5-13-6-8-14/h10,13H,5-9H2,1-4H3
InChIKeyWLBXFAGWWZYPLK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds4

About methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate

methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate (PubChem CID 61002266) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-2-piperazin-1-ylpentanoate
PubChem CID61002266
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2,4-dimethyl-2-piperazin-1-ylpentanoate
SMILESCOC(=O)C(C)(CC(C)C)N1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)9-12(3,11(15)16-4)14-7-5-13-6-8-14/h10,13H,5-9H2,1-4H3
InChIKeyWLBXFAGWWZYPLK-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1,4-diazepan-1-yl)-2,4-dimethylpentanoate
CID 54890908
methyl 2-methyl-2-piperazin-1-yloctanoate
CID 54894792
methyl 2-(1,4-diazepan-1-yl)-2,3-dimethylbutanoate
CID 62488796
(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
CID 80548885
ethyl 2-methyl-2-piperazin-1-ylbutanoate
CID 61001895
ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate
CID 54895223
N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548456
2-(azepan-1-yl)-2,4-dimethylpentanoic acid
CID 61057943
N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548261
ethyl 2-(1,4-diazepan-1-yl)-3-methoxy-2-methylpropanoate
CID 62536282
methyl (2S)-2-(aziridin-1-yl)-2-methylpent-4-enoate
CID 163655825
ethyl 2-methyl-2-piperazin-1-ylnonanoate
CID 61002741

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate?
The IUPAC name of methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate (CID 61002266) is methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate.
What is the SMILES notation for methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate?
The canonical SMILES for methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate is COC(=O)C(C)(CC(C)C)N1CCNCC1.
What is the InChIKey of methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate?
The InChIKey is WLBXFAGWWZYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)9-12(3,11(15)16-4)14-7-5-13-6-8-14/h10,13H,5-9H2,1-4H3.
What are the key properties of methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate?
methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate is sourced from PubChem (CID 61002266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).