4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid

C10H18N2O3 — CID 22047872

IUPAC4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C10H18N2O3/c13-10(14)12-5-3-11(4-6-12)8-9-2-1-7-15-9/h9H,1-8H2,(H,13,14)
InChIKeyZGVJCQFNDUBTIH-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.46
Rot. Bonds2

About 4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid

4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid (PubChem CID 22047872) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid
PubChem CID22047872
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C10H18N2O3/c13-10(14)12-5-3-11(4-6-12)8-9-2-1-7-15-9/h9H,1-8H2,(H,13,14)
InChIKeyZGVJCQFNDUBTIH-UHFFFAOYSA-N
XLogP0.46
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid (CID 22047872) is 4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid?
The InChIKey is ZGVJCQFNDUBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c13-10(14)12-5-3-11(4-6-12)8-9-2-1-7-15-9/h9H,1-8H2,(H,13,14).
What are the key properties of 4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid?
4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22047872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).