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

C22H44N2O2 — CID 22957838

IUPACtetradecyl 3-(4-methylpiperazin-1-yl)propanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C22H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-22(25)15-16-24-19-17-23(2)18-20-24/h3-21H2,1-2H3
InChIKeyNLLVCCPKFNOTDT-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.87
Rot. Bonds16

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

tetradecyl 3-(4-methylpiperazin-1-yl)propanoate (PubChem CID 22957838) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is tetradecyl 3-(4-methylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Nametetradecyl 3-(4-methylpiperazin-1-yl)propanoate
PubChem CID22957838
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Nametetradecyl 3-(4-methylpiperazin-1-yl)propanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C22H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-22(25)15-16-24-19-17-23(2)18-20-24/h3-21H2,1-2H3
InChIKeyNLLVCCPKFNOTDT-UHFFFAOYSA-N
XLogP4.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.87
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

Undecyl 3-(dimethylamino)propanoate
CID 52943527
Dodecyl 3-dimethylaminopropionate
CID 11483031
11-(Methylpiperidyl)undecyl acetate
CID 3115180
Tetradecyl 3-[4-(3-oxo-3-tetradecoxypropyl)piperazin-1-yl]propanoate
CID 22340943
Dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
N-methyl-N,N-bis[2-(octadecyloxycarbonyl)ethyl]amine
CID 129854516
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl 3-[bis[2-(diethylamino)ethyl]amino]propanoate
CID 162538426
Octyl 3-morpholin-4-ylpropanoate
CID 12425589
Decyl-dimethyl-(3-octoxy-3-oxopropyl)azanium
CID 14625635
Dodecyl 3-[4-(3-dodecoxy-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanoate
CID 20607045
Tetradecyl 3-[4-(3-oxo-3-tetradeca-1,3,5,7,9,11,13-heptaynoxypropyl)piperazin-1-yl]propanoate
CID 21306162
Tetradecyl 3-[3-[bis(3-oxo-3-tetradecoxypropyl)amino]propyl-methylamino]propanoate
CID 46240665

Frequently Asked Questions

What is the IUPAC name of tetradecyl 3-(4-methylpiperazin-1-yl)propanoate?
The IUPAC name of tetradecyl 3-(4-methylpiperazin-1-yl)propanoate (CID 22957838) is tetradecyl 3-(4-methylpiperazin-1-yl)propanoate.
What is the SMILES notation for tetradecyl 3-(4-methylpiperazin-1-yl)propanoate?
The canonical SMILES for tetradecyl 3-(4-methylpiperazin-1-yl)propanoate is CCCCCCCCCCCCCCOC(=O)CCN1CCN(C)CC1.
What is the InChIKey of tetradecyl 3-(4-methylpiperazin-1-yl)propanoate?
The InChIKey is NLLVCCPKFNOTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-22(25)15-16-24-19-17-23(2)18-20-24/h3-21H2,1-2H3.
What are the key properties of tetradecyl 3-(4-methylpiperazin-1-yl)propanoate?
tetradecyl 3-(4-methylpiperazin-1-yl)propanoate has a molecular weight of 368.61 g/mol, XLogP of 4.87, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 3-(4-methylpiperazin-1-yl)propanoate is sourced from PubChem (CID 22957838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).