(4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one

C9H17NO2 — CID 91005890

IUPAC(4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one
SMILESCC(C)C[C@H]1C[C@H](O)CC(=O)N1
InChIInChI=1S/C9H17NO2/c1-6(2)3-7-4-8(11)5-9(12)10-7/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t7-,8-/m0/s1
InChIKeyYNECBNGEDLTMJO-YUMQZZPRSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds2

About (4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one

(4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one (PubChem CID 91005890) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one.

Molecular Properties

Compound Name(4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one
PubChem CID91005890
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one
SMILESCC(C)C[C@H]1C[C@H](O)CC(=O)N1
InChIInChI=1S/C9H17NO2/c1-6(2)3-7-4-8(11)5-9(12)10-7/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t7-,8-/m0/s1
InChIKeyYNECBNGEDLTMJO-YUMQZZPRSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one?
The IUPAC name of (4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one (CID 91005890) is (4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one.
What is the SMILES notation for (4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one?
The canonical SMILES for (4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one is CC(C)C[C@H]1C[C@H](O)CC(=O)N1.
What is the InChIKey of (4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one?
The InChIKey is YNECBNGEDLTMJO-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)3-7-4-8(11)5-9(12)10-7/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t7-,8-/m0/s1.
What are the key properties of (4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one?
(4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-hydroxy-6-(2-methylpropyl)piperidin-2-one is sourced from PubChem (CID 91005890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).