methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate

C10H20N2O2 — CID 104975207

IUPACmethyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate
SMILESCOC(=O)CC(C)N1CCN[C@H](C)C1
InChIInChI=1S/C10H20N2O2/c1-8-7-12(5-4-11-8)9(2)6-10(13)14-3/h8-9,11H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyFMJFKFOWQMDTPZ-VEDVMXKPSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds3

About methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate

methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate (PubChem CID 104975207) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate
PubChem CID104975207
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate
SMILESCOC(=O)CC(C)N1CCN[C@H](C)C1
InChIInChI=1S/C10H20N2O2/c1-8-7-12(5-4-11-8)9(2)6-10(13)14-3/h8-9,11H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyFMJFKFOWQMDTPZ-VEDVMXKPSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
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methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate
CID 79091180
methyl (3S)-3-piperidin-1-ylbutanoate
CID 93106362
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
1-(1-ethoxypropan-2-yl)-3-methylpiperazine
CID 64953136
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412
methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 55159557
methyl 3-(2-ethylmorpholin-4-yl)butanoate
CID 43562857
1-(4,4-difluorobutan-2-yl)-3-methylpiperazine
CID 130653889
2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739
methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66391355

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate?
The IUPAC name of methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate (CID 104975207) is methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate.
What is the SMILES notation for methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate?
The canonical SMILES for methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate is COC(=O)CC(C)N1CCN[C@H](C)C1.
What is the InChIKey of methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate?
The InChIKey is FMJFKFOWQMDTPZ-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-7-12(5-4-11-8)9(2)6-10(13)14-3/h8-9,11H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate?
methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate is sourced from PubChem (CID 104975207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).