3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one

C12H24N2O2 — CID 65112678

IUPAC3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one
SMILESCCNC1CCCN(CC(C)(O)CC)C1=O
InChIInChI=1S/C12H24N2O2/c1-4-12(3,16)9-14-8-6-7-10(11(14)15)13-5-2/h10,13,16H,4-9H2,1-3H3
InChIKeySNLZGTHDPFRXOO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds5

About 3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one

3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one (PubChem CID 65112678) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one
PubChem CID65112678
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one
SMILESCCNC1CCCN(CC(C)(O)CC)C1=O
InChIInChI=1S/C12H24N2O2/c1-4-12(3,16)9-14-8-6-7-10(11(14)15)13-5-2/h10,13,16H,4-9H2,1-3H3
InChIKeySNLZGTHDPFRXOO-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one (CID 65112678) is 3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one is CCNC1CCCN(CC(C)(O)CC)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one?
The InChIKey is SNLZGTHDPFRXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(3,16)9-14-8-6-7-10(11(14)15)13-5-2/h10,13,16H,4-9H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one?
3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one is sourced from PubChem (CID 65112678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).