3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid

C14H24N2O3 — CID 55055894

IUPAC3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCN(CC3CC3)CC2)CCOC1
InChIInChI=1S/C14H24N2O3/c17-13(18)14(3-8-19-11-14)10-16-6-4-15(5-7-16)9-12-1-2-12/h12H,1-11H2,(H,17,18)
InChIKeyTXXHHVMXNBOJGM-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.51
Rot. Bonds5

About 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid

3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid (PubChem CID 55055894) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid
PubChem CID55055894
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCN(CC3CC3)CC2)CCOC1
InChIInChI=1S/C14H24N2O3/c17-13(18)14(3-8-19-11-14)10-16-6-4-15(5-7-16)9-12-1-2-12/h12H,1-11H2,(H,17,18)
InChIKeyTXXHHVMXNBOJGM-UHFFFAOYSA-N
XLogP0.51
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid (CID 55055894) is 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid is O=C(O)C1(CN2CCN(CC3CC3)CC2)CCOC1.
What is the InChIKey of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid?
The InChIKey is TXXHHVMXNBOJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(18)14(3-8-19-11-14)10-16-6-4-15(5-7-16)9-12-1-2-12/h12H,1-11H2,(H,17,18).
What are the key properties of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid?
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 55055894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).