(2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one

C9H15NO — CID 82651695

IUPAC(2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one
SMILESC[C@H]1CC(=O)C[C@@H](C2CC2)N1
InChIInChI=1S/C9H15NO/c1-6-4-8(11)5-9(10-6)7-2-3-7/h6-7,9-10H,2-5H2,1H3/t6-,9-/m0/s1
InChIKeyURHLGVNKVAEGGV-RCOVLWMOSA-N
MW153.22 g/mol
LogP1.11
Rot. Bonds1

About (2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one

(2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one (PubChem CID 82651695) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one.

Molecular Properties

Compound Name(2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one
PubChem CID82651695
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one
SMILESC[C@H]1CC(=O)C[C@@H](C2CC2)N1
InChIInChI=1S/C9H15NO/c1-6-4-8(11)5-9(10-6)7-2-3-7/h6-7,9-10H,2-5H2,1H3/t6-,9-/m0/s1
InChIKeyURHLGVNKVAEGGV-RCOVLWMOSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one?
The IUPAC name of (2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one (CID 82651695) is (2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one.
What is the SMILES notation for (2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one?
The canonical SMILES for (2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one is C[C@H]1CC(=O)C[C@@H](C2CC2)N1.
What is the InChIKey of (2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one?
The InChIKey is URHLGVNKVAEGGV-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-4-8(11)5-9(10-6)7-2-3-7/h6-7,9-10H,2-5H2,1H3/t6-,9-/m0/s1.
What are the key properties of (2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one?
(2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one has a molecular weight of 153.22 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-cyclopropyl-6-methylpiperidin-4-one is sourced from PubChem (CID 82651695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).