2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate

C14H23NO2 — CID 155075914

IUPAC2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate
SMILESCC(C)(OC(=O)C1=CCCC1)C1CCNCC1
InChIInChI=1S/C14H23NO2/c1-14(2,12-7-9-15-10-8-12)17-13(16)11-5-3-4-6-11/h5,12,15H,3-4,6-10H2,1-2H3
InChIKeyGPFDKIOZZDEXOF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.42
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate

2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate (PubChem CID 155075914) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate
PubChem CID155075914
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate
SMILESCC(C)(OC(=O)C1=CCCC1)C1CCNCC1
InChIInChI=1S/C14H23NO2/c1-14(2,12-7-9-15-10-8-12)17-13(16)11-5-3-4-6-11/h5,12,15H,3-4,6-10H2,1-2H3
InChIKeyGPFDKIOZZDEXOF-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate (CID 155075914) is 2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate is CC(C)(OC(=O)C1=CCCC1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate?
The InChIKey is GPFDKIOZZDEXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,12-7-9-15-10-8-12)17-13(16)11-5-3-4-6-11/h5,12,15H,3-4,6-10H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate?
2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl cyclopentene-1-carboxylate is sourced from PubChem (CID 155075914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).