methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate

C12H25N3O2 — CID 63635767

IUPACmethyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate
SMILESCCNC(CN1CCN(C)C(C)C1)C(=O)OC
InChIInChI=1S/C12H25N3O2/c1-5-13-11(12(16)17-4)9-15-7-6-14(3)10(2)8-15/h10-11,13H,5-9H2,1-4H3
InChIKeyLMTYPPRCAQSAAL-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.23
Rot. Bonds5

About methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate

methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate (PubChem CID 63635767) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate
PubChem CID63635767
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Namemethyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate
SMILESCCNC(CN1CCN(C)C(C)C1)C(=O)OC
InChIInChI=1S/C12H25N3O2/c1-5-13-11(12(16)17-4)9-15-7-6-14(3)10(2)8-15/h10-11,13H,5-9H2,1-4H3
InChIKeyLMTYPPRCAQSAAL-UHFFFAOYSA-N
XLogP-0.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505746
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(propylamino)propanoate
CID 63633851
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
CID 64898611
3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55217366
methyl 2-(cyclopropylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoate
CID 63635593
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791833
methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate
CID 63054032
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate?
The IUPAC name of methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate (CID 63635767) is methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate?
The canonical SMILES for methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate is CCNC(CN1CCN(C)C(C)C1)C(=O)OC.
What is the InChIKey of methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate?
The InChIKey is LMTYPPRCAQSAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-13-11(12(16)17-4)9-15-7-6-14(3)10(2)8-15/h10-11,13H,5-9H2,1-4H3.
What are the key properties of methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate?
methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate has a molecular weight of 243.35 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate is sourced from PubChem (CID 63635767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).