ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate

C14H29N3O2 — CID 55128136

IUPACethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate
SMILESCCOC(=O)CC(C)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-5-19-14(18)12-13(2)17-10-8-16(9-11-17)7-6-15(3)4/h13H,5-12H2,1-4H3
InChIKeyCXZWDBNSTDBDPL-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.51
Rot. Bonds7

About ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate

ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate (PubChem CID 55128136) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate
PubChem CID55128136
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nameethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate
SMILESCCOC(=O)CC(C)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-5-19-14(18)12-13(2)17-10-8-16(9-11-17)7-6-15(3)4/h13H,5-12H2,1-4H3
InChIKeyCXZWDBNSTDBDPL-UHFFFAOYSA-N
XLogP0.51
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate
CID 115537131
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentanoic acid
CID 64705537
ethyl 3-(4-methylsulfonylpiperazin-1-yl)butanoate
CID 62993635
ethyl 3-(4-hydroxypiperidin-1-yl)butanoate
CID 56994099
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutanoic acid
CID 79413725
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone
CID 60712478
1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
CID 64820717
methyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]but-3-enoate
CID 114242422
ethyl 3-(3-aminoazetidin-1-yl)butanoate
CID 65249618
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butanoate
CID 79411173
ethyl 3-(dimethylamino)butanoate
CID 3020377

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate?
The IUPAC name of ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate (CID 55128136) is ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate.
What is the SMILES notation for ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate?
The canonical SMILES for ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate is CCOC(=O)CC(C)N1CCN(CCN(C)C)CC1.
What is the InChIKey of ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate?
The InChIKey is CXZWDBNSTDBDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-19-14(18)12-13(2)17-10-8-16(9-11-17)7-6-15(3)4/h13H,5-12H2,1-4H3.
What are the key properties of ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate?
ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate has a molecular weight of 271.40 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate is sourced from PubChem (CID 55128136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).