1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one

C21H25NO2 — CID 18333551

IUPAC1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1N(Cc2ccccc2)CCCC1(CCO)Cc1ccccc1
InChIInChI=1S/C21H25NO2/c23-15-13-21(16-18-8-3-1-4-9-18)12-7-14-22(20(21)24)17-19-10-5-2-6-11-19/h1-6,8-11,23H,7,12-17H2
InChIKeyMHUWMWLBZKHPKM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.42
Rot. Bonds6

About 1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one

1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one (PubChem CID 18333551) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one
PubChem CID18333551
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1N(Cc2ccccc2)CCCC1(CCO)Cc1ccccc1
InChIInChI=1S/C21H25NO2/c23-15-13-21(16-18-8-3-1-4-9-18)12-7-14-22(20(21)24)17-19-10-5-2-6-11-19/h1-6,8-11,23H,7,12-17H2
InChIKeyMHUWMWLBZKHPKM-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one?
The IUPAC name of 1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one (CID 18333551) is 1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one.
What is the SMILES notation for 1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one?
The canonical SMILES for 1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one is O=C1N(Cc2ccccc2)CCCC1(CCO)Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one?
The InChIKey is MHUWMWLBZKHPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-15-13-21(16-18-8-3-1-4-9-18)12-7-14-22(20(21)24)17-19-10-5-2-6-11-19/h1-6,8-11,23H,7,12-17H2.
What are the key properties of 1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one?
1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-3-(2-hydroxyethyl)piperidin-2-one is sourced from PubChem (CID 18333551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).