ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate

C14H29N3O2 — CID 55216982

IUPACethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN1CCN(C)C(CC)C1)NC
InChIInChI=1S/C14H29N3O2/c1-5-12-11-17(10-9-16(12)4)8-7-13(15-3)14(18)19-6-2/h12-13,15H,5-11H2,1-4H3
InChIKeyUDSIZAMBGOHNNN-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.55
Rot. Bonds7

About ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate

ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate (PubChem CID 55216982) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
PubChem CID55216982
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nameethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN1CCN(C)C(CC)C1)NC
InChIInChI=1S/C14H29N3O2/c1-5-12-11-17(10-9-16(12)4)8-7-13(15-3)14(18)19-6-2/h12-13,15H,5-11H2,1-4H3
InChIKeyUDSIZAMBGOHNNN-UHFFFAOYSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(methylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55145486
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63159042
ethyl 2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 63054024
ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 113418606
ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butanoate
CID 63054388
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(propylamino)propanoate
CID 63633851
ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 63171014
5-(3-ethyl-4-methylpiperazin-1-yl)-N-methylpentan-2-amine
CID 63611231
ethyl 2-(methylamino)-4-(2,2,6-trimethylmorpholin-4-yl)butanoate
CID 63054333
5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine
CID 63608603
3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64790393
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 63634255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate (CID 55216982) is ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate is CCOC(=O)C(CCN1CCN(C)C(CC)C1)NC.
What is the InChIKey of ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate?
The InChIKey is UDSIZAMBGOHNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-12-11-17(10-9-16(12)4)8-7-13(15-3)14(18)19-6-2/h12-13,15H,5-11H2,1-4H3.
What are the key properties of ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate?
ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate has a molecular weight of 271.40 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate is sourced from PubChem (CID 55216982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).