(5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one

C19H21NO2 — CID 134863929

IUPAC(5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one
SMILESO=C1CC[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C19H21NO2/c21-18-11-12-19(22)20(14-16-9-5-2-6-10-16)17(18)13-15-7-3-1-4-8-15/h1-10,17-18,21H,11-14H2/t17-,18+/m0/s1
InChIKeySHMFUWLOZKPRQV-ZWKOTPCHSA-N
MW295.38 g/mol
LogP2.78
Rot. Bonds4

About (5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one

(5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one (PubChem CID 134863929) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one
PubChem CID134863929
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one
SMILESO=C1CC[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C19H21NO2/c21-18-11-12-19(22)20(14-16-9-5-2-6-10-16)17(18)13-15-7-3-1-4-8-15/h1-10,17-18,21H,11-14H2/t17-,18+/m0/s1
InChIKeySHMFUWLOZKPRQV-ZWKOTPCHSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one?
The IUPAC name of (5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one (CID 134863929) is (5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one.
What is the SMILES notation for (5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one?
The canonical SMILES for (5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one is O=C1CC[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one?
The InChIKey is SHMFUWLOZKPRQV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18-11-12-19(22)20(14-16-9-5-2-6-10-16)17(18)13-15-7-3-1-4-8-15/h1-10,17-18,21H,11-14H2/t17-,18+/m0/s1.
What are the key properties of (5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one?
(5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-1,6-dibenzyl-5-hydroxypiperidin-2-one is sourced from PubChem (CID 134863929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).