(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one

C17H32N2O2 — CID 26327978

IUPAC(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
SMILESCCN(CC)C[C@]1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C17H32N2O2/c1-3-18(4-2)14-17(21)11-8-12-19(16(17)20)13-15-9-6-5-7-10-15/h15,21H,3-14H2,1-2H3/t17-/m1/s1
InChIKeySOGDKJNLBXYUPG-QGZVFWFLSA-N
MW296.45 g/mol
LogP2.26
Rot. Bonds6

About (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one

(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one (PubChem CID 26327978) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
PubChem CID26327978
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
SMILESCCN(CC)C[C@]1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C17H32N2O2/c1-3-18(4-2)14-17(21)11-8-12-19(16(17)20)13-15-9-6-5-7-10-15/h15,21H,3-14H2,1-2H3/t17-/m1/s1
InChIKeySOGDKJNLBXYUPG-QGZVFWFLSA-N
XLogP2.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one (CID 26327978) is (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one is CCN(CC)C[C@]1(O)CCCN(CC2CCCCC2)C1=O.
What is the InChIKey of (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one?
The InChIKey is SOGDKJNLBXYUPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-18(4-2)14-17(21)11-8-12-19(16(17)20)13-15-9-6-5-7-10-15/h15,21H,3-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one?
(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one has a molecular weight of 296.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 26327978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).