3-(4-methylpiperazin-1-yl)propyl propanoate

C11H22N2O2 — CID 70867774

IUPAC3-(4-methylpiperazin-1-yl)propyl propanoate
SMILESCCC(=O)OCCCN1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-3-11(14)15-10-4-5-13-8-6-12(2)7-9-13/h3-10H2,1-2H3
InChIKeyCBOAQEUUOYWLAR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.58
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)propyl propanoate

3-(4-methylpiperazin-1-yl)propyl propanoate (PubChem CID 70867774) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propyl propanoate.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propyl propanoate
PubChem CID70867774
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(4-methylpiperazin-1-yl)propyl propanoate
SMILESCCC(=O)OCCCN1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-3-11(14)15-10-4-5-13-8-6-12(2)7-9-13/h3-10H2,1-2H3
InChIKeyCBOAQEUUOYWLAR-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
1-[2-(4-methylpiperazin-1-yl)ethoxy]butan-2-one
CID 156867253
butyl 3-(aziridin-1-yl)propanoate;methane
CID 160985577
2-[2-[3-(4-methylpiperazin-1-yl)propanoyloxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 59193459
1-O-methyl 4-O-[2-(4-methylpiperazin-1-yl)ethyl] butanedioate
CID 166761469
14-propanoyloxytetradecyl propanoate
CID 100931915
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 90259776
(4S)-4-amino-8-(4-methylpiperazin-1-yl)octan-3-one
CID 178037277
3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58136099
[(Z)-octadec-9-enyl] 2-(4-methylpiperazin-1-yl)acetate
CID 10076460
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)propyl propanoate?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propyl propanoate (CID 70867774) is 3-(4-methylpiperazin-1-yl)propyl propanoate.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propyl propanoate?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propyl propanoate is CCC(=O)OCCCN1CCN(C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propyl propanoate?
The InChIKey is CBOAQEUUOYWLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(14)15-10-4-5-13-8-6-12(2)7-9-13/h3-10H2,1-2H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)propyl propanoate?
3-(4-methylpiperazin-1-yl)propyl propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propyl propanoate is sourced from PubChem (CID 70867774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).