ethyl 2-(4-methylpiperazin-1-yl)pentanoate

C12H24N2O2 — CID 78964984

IUPACethyl 2-(4-methylpiperazin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-6-11(12(15)16-5-2)14-9-7-13(3)8-10-14/h11H,4-10H2,1-3H3
InChIKeySNPGJUZXVYNHAR-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds5

About ethyl 2-(4-methylpiperazin-1-yl)pentanoate

ethyl 2-(4-methylpiperazin-1-yl)pentanoate (PubChem CID 78964984) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 2-(4-methylpiperazin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylpiperazin-1-yl)pentanoate
PubChem CID78964984
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 2-(4-methylpiperazin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-6-11(12(15)16-5-2)14-9-7-13(3)8-10-14/h11H,4-10H2,1-3H3
InChIKeySNPGJUZXVYNHAR-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)pentanoate?
The IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)pentanoate (CID 78964984) is ethyl 2-(4-methylpiperazin-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(4-methylpiperazin-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(4-methylpiperazin-1-yl)pentanoate is CCCC(C(=O)OCC)N1CCN(C)CC1.
What is the InChIKey of ethyl 2-(4-methylpiperazin-1-yl)pentanoate?
The InChIKey is SNPGJUZXVYNHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-11(12(15)16-5-2)14-9-7-13(3)8-10-14/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(4-methylpiperazin-1-yl)pentanoate?
ethyl 2-(4-methylpiperazin-1-yl)pentanoate has a molecular weight of 228.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpiperazin-1-yl)pentanoate is sourced from PubChem (CID 78964984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).