4-(1-benzofuran-3-yl)-1-propylpiperidine

C16H21NO — CID 71452519

IUPAC4-(1-benzofuran-3-yl)-1-propylpiperidine
SMILESCCCN1CCC(c2coc3ccccc23)CC1
InChIInChI=1S/C16H21NO/c1-2-9-17-10-7-13(8-11-17)15-12-18-16-6-4-3-5-14(15)16/h3-6,12-13H,2,7-11H2,1H3
InChIKeyRPDHXGXUGMGVAU-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.02
Rot. Bonds3

About 4-(1-benzofuran-3-yl)-1-propylpiperidine

4-(1-benzofuran-3-yl)-1-propylpiperidine (PubChem CID 71452519) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(1-benzofuran-3-yl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(1-benzofuran-3-yl)-1-propylpiperidine
PubChem CID71452519
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(1-benzofuran-3-yl)-1-propylpiperidine
SMILESCCCN1CCC(c2coc3ccccc23)CC1
InChIInChI=1S/C16H21NO/c1-2-9-17-10-7-13(8-11-17)15-12-18-16-6-4-3-5-14(15)16/h3-6,12-13H,2,7-11H2,1H3
InChIKeyRPDHXGXUGMGVAU-UHFFFAOYSA-N
XLogP4.02
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-yl)-1-propylpiperidine?
The IUPAC name of 4-(1-benzofuran-3-yl)-1-propylpiperidine (CID 71452519) is 4-(1-benzofuran-3-yl)-1-propylpiperidine.
What is the SMILES notation for 4-(1-benzofuran-3-yl)-1-propylpiperidine?
The canonical SMILES for 4-(1-benzofuran-3-yl)-1-propylpiperidine is CCCN1CCC(c2coc3ccccc23)CC1.
What is the InChIKey of 4-(1-benzofuran-3-yl)-1-propylpiperidine?
The InChIKey is RPDHXGXUGMGVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-9-17-10-7-13(8-11-17)15-12-18-16-6-4-3-5-14(15)16/h3-6,12-13H,2,7-11H2,1H3.
What are the key properties of 4-(1-benzofuran-3-yl)-1-propylpiperidine?
4-(1-benzofuran-3-yl)-1-propylpiperidine has a molecular weight of 243.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-yl)-1-propylpiperidine is sourced from PubChem (CID 71452519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).