(4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone

C23H23NO2 — CID 118734424

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C23H23NO2/c25-22(21-12-6-10-19-9-4-5-11-20(19)21)24-15-13-23(26,14-16-24)17-18-7-2-1-3-8-18/h1-12,26H,13-17H2
InChIKeyATXCUHQQKQDIBW-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.05
Rot. Bonds3

About (4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone

(4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone (PubChem CID 118734424) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone
PubChem CID118734424
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C23H23NO2/c25-22(21-12-6-10-19-9-4-5-11-20(19)21)24-15-13-23(26,14-16-24)17-18-7-2-1-3-8-18/h1-12,26H,13-17H2
InChIKeyATXCUHQQKQDIBW-UHFFFAOYSA-N
XLogP4.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone (CID 118734424) is (4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is ATXCUHQQKQDIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-22(21-12-6-10-19-9-4-5-11-20(19)21)24-15-13-23(26,14-16-24)17-18-7-2-1-3-8-18/h1-12,26H,13-17H2.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 345.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 118734424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).