(2S)-1-cyclopropyl-2-phenylpiperidin-4-one

C14H17NO — CID 125181070

IUPAC(2S)-1-cyclopropyl-2-phenylpiperidin-4-one
SMILESO=C1CCN(C2CC2)[C@H](c2ccccc2)C1
InChIInChI=1S/C14H17NO/c16-13-8-9-15(12-6-7-12)14(10-13)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t14-/m0/s1
InChIKeyVARHAIHELAQXFC-AWEZNQCLSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds2

About (2S)-1-cyclopropyl-2-phenylpiperidin-4-one

(2S)-1-cyclopropyl-2-phenylpiperidin-4-one (PubChem CID 125181070) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S)-1-cyclopropyl-2-phenylpiperidin-4-one.

Molecular Properties

Compound Name(2S)-1-cyclopropyl-2-phenylpiperidin-4-one
PubChem CID125181070
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(2S)-1-cyclopropyl-2-phenylpiperidin-4-one
SMILESO=C1CCN(C2CC2)[C@H](c2ccccc2)C1
InChIInChI=1S/C14H17NO/c16-13-8-9-15(12-6-7-12)14(10-13)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t14-/m0/s1
InChIKeyVARHAIHELAQXFC-AWEZNQCLSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopropyl-2-phenylpiperidin-4-one?
The IUPAC name of (2S)-1-cyclopropyl-2-phenylpiperidin-4-one (CID 125181070) is (2S)-1-cyclopropyl-2-phenylpiperidin-4-one.
What is the SMILES notation for (2S)-1-cyclopropyl-2-phenylpiperidin-4-one?
The canonical SMILES for (2S)-1-cyclopropyl-2-phenylpiperidin-4-one is O=C1CCN(C2CC2)[C@H](c2ccccc2)C1.
What is the InChIKey of (2S)-1-cyclopropyl-2-phenylpiperidin-4-one?
The InChIKey is VARHAIHELAQXFC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17NO/c16-13-8-9-15(12-6-7-12)14(10-13)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t14-/m0/s1.
What are the key properties of (2S)-1-cyclopropyl-2-phenylpiperidin-4-one?
(2S)-1-cyclopropyl-2-phenylpiperidin-4-one has a molecular weight of 215.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopropyl-2-phenylpiperidin-4-one is sourced from PubChem (CID 125181070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).