2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C16H25NO2 — CID 155075395

IUPAC2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(C)(OC(=O)C1CC2C=CC1C2)C1CCNCC1
InChIInChI=1S/C16H25NO2/c1-16(2,13-5-7-17-8-6-13)19-15(18)14-10-11-3-4-12(14)9-11/h3-4,11-14,17H,5-10H2,1-2H3
InChIKeyDYDGRUZZHHRAPW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.52
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate

2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 155075395) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID155075395
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(C)(OC(=O)C1CC2C=CC1C2)C1CCNCC1
InChIInChI=1S/C16H25NO2/c1-16(2,13-5-7-17-8-6-13)19-15(18)14-10-11-3-4-12(14)9-11/h3-4,11-14,17H,5-10H2,1-2H3
InChIKeyDYDGRUZZHHRAPW-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 155075395) is 2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate is CC(C)(OC(=O)C1CC2C=CC1C2)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is DYDGRUZZHHRAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,13-5-7-17-8-6-13)19-15(18)14-10-11-3-4-12(14)9-11/h3-4,11-14,17H,5-10H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
2-piperidin-4-ylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 2.52, 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 bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 155075395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).