1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone

C19H27NO2 — CID 91918181

IUPAC1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H27NO2/c21-19(15-18-8-12-22-13-9-18)20-10-6-17(7-11-20)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2
InChIKeyIXJYRVHQMCPBAM-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone

1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone (PubChem CID 91918181) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
PubChem CID91918181
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H27NO2/c21-19(15-18-8-12-22-13-9-18)20-10-6-17(7-11-20)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2
InChIKeyIXJYRVHQMCPBAM-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone (CID 91918181) is 1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is IXJYRVHQMCPBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-19(15-18-8-12-22-13-9-18)20-10-6-17(7-11-20)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 301.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 91918181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).