3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal

C17H23NO2 — CID 88709089

IUPAC3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal
SMILESCC(C=O)C(C1=C2C=COC=C2CC1)N1CCCCC1
InChIInChI=1S/C17H23NO2/c1-13(11-19)17(18-8-3-2-4-9-18)16-6-5-14-12-20-10-7-15(14)16/h7,10-13,17H,2-6,8-9H2,1H3
InChIKeyKQOBTNOXPMRKFX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.19
Rot. Bonds4

About 3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal

3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal (PubChem CID 88709089) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal.

Molecular Properties

Compound Name3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal
PubChem CID88709089
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal
SMILESCC(C=O)C(C1=C2C=COC=C2CC1)N1CCCCC1
InChIInChI=1S/C17H23NO2/c1-13(11-19)17(18-8-3-2-4-9-18)16-6-5-14-12-20-10-7-15(14)16/h7,10-13,17H,2-6,8-9H2,1H3
InChIKeyKQOBTNOXPMRKFX-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal?
The IUPAC name of 3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal (CID 88709089) is 3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal.
What is the SMILES notation for 3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal?
The canonical SMILES for 3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal is CC(C=O)C(C1=C2C=COC=C2CC1)N1CCCCC1.
What is the InChIKey of 3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal?
The InChIKey is KQOBTNOXPMRKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(11-19)17(18-8-3-2-4-9-18)16-6-5-14-12-20-10-7-15(14)16/h7,10-13,17H,2-6,8-9H2,1H3.
What are the key properties of 3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal?
3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal has a molecular weight of 273.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-piperidin-1-ylpropanal is sourced from PubChem (CID 88709089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).