(4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone

C19H23NO2 — CID 1245621

IUPAC(4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(C)o1
InChIInChI=1S/C19H23NO2/c1-14-12-18(15(2)22-14)19(21)20-10-8-17(9-11-20)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3
InChIKeyDSSKEXUNXRUQDD-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.99
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone

(4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 1245621) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
PubChem CID1245621
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(C)o1
InChIInChI=1S/C19H23NO2/c1-14-12-18(15(2)22-14)19(21)20-10-8-17(9-11-20)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3
InChIKeyDSSKEXUNXRUQDD-UHFFFAOYSA-N
XLogP3.99
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone (CID 1245621) is (4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(C)o1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is DSSKEXUNXRUQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-12-18(15(2)22-14)19(21)20-10-8-17(9-11-20)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 1245621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).