(2R)-2-tert-butylpiperidin-4-one

C9H17NO — CID 86332731

IUPAC(2R)-2-tert-butylpiperidin-4-one
SMILESCC(C)(C)[C@H]1CC(=O)CCN1
InChIInChI=1S/C9H17NO/c1-9(2,3)8-6-7(11)4-5-10-8/h8,10H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyVIDDHEKVSHADET-MRVPVSSYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds

About (2R)-2-tert-butylpiperidin-4-one

(2R)-2-tert-butylpiperidin-4-one (PubChem CID 86332731) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2R)-2-tert-butylpiperidin-4-one.

Molecular Properties

Compound Name(2R)-2-tert-butylpiperidin-4-one
PubChem CID86332731
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2R)-2-tert-butylpiperidin-4-one
SMILESCC(C)(C)[C@H]1CC(=O)CCN1
InChIInChI=1S/C9H17NO/c1-9(2,3)8-6-7(11)4-5-10-8/h8,10H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyVIDDHEKVSHADET-MRVPVSSYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butylpiperidin-4-one?
The IUPAC name of (2R)-2-tert-butylpiperidin-4-one (CID 86332731) is (2R)-2-tert-butylpiperidin-4-one.
What is the SMILES notation for (2R)-2-tert-butylpiperidin-4-one?
The canonical SMILES for (2R)-2-tert-butylpiperidin-4-one is CC(C)(C)[C@H]1CC(=O)CCN1.
What is the InChIKey of (2R)-2-tert-butylpiperidin-4-one?
The InChIKey is VIDDHEKVSHADET-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,3)8-6-7(11)4-5-10-8/h8,10H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-tert-butylpiperidin-4-one?
(2R)-2-tert-butylpiperidin-4-one has a molecular weight of 155.24 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butylpiperidin-4-one is sourced from PubChem (CID 86332731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).