methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate

C11H22N2O2 — CID 43421785

IUPACmethyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate
SMILESCOC(=O)CCN1CCN(C(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-10(2)13-8-6-12(7-9-13)5-4-11(14)15-3/h10H,4-9H2,1-3H3
InChIKeyYJFJUKAZFXOQSZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.58
Rot. Bonds4

About methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate

methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate (PubChem CID 43421785) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate
PubChem CID43421785
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate
SMILESCOC(=O)CCN1CCN(C(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-10(2)13-8-6-12(7-9-13)5-4-11(14)15-3/h10H,4-9H2,1-3H3
InChIKeyYJFJUKAZFXOQSZ-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate (CID 43421785) is methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate is COC(=O)CCN1CCN(C(C)C)CC1.
What is the InChIKey of methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate?
The InChIKey is YJFJUKAZFXOQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)13-8-6-12(7-9-13)5-4-11(14)15-3/h10H,4-9H2,1-3H3.
What are the key properties of methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate?
methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-propan-2-ylpiperazin-1-yl)propanoate is sourced from PubChem (CID 43421785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).