2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone

C13H21NO2 — CID 107224151

IUPAC2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCC[C@H](O)C1
InChIInChI=1S/C13H21NO2/c15-12-7-4-8-14(10-12)13(16)9-11-5-2-1-3-6-11/h5,12,15H,1-4,6-10H2/t12-/m0/s1
InChIKeyCROQRVYTPOMSTP-LBPRGKRZSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds2

About 2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 107224151) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
PubChem CID107224151
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCC[C@H](O)C1
InChIInChI=1S/C13H21NO2/c15-12-7-4-8-14(10-12)13(16)9-11-5-2-1-3-6-11/h5,12,15H,1-4,6-10H2/t12-/m0/s1
InChIKeyCROQRVYTPOMSTP-LBPRGKRZSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone (CID 107224151) is 2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone is O=C(CC1=CCCCC1)N1CCC[C@H](O)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is CROQRVYTPOMSTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12-7-4-8-14(10-12)13(16)9-11-5-2-1-3-6-11/h5,12,15H,1-4,6-10H2/t12-/m0/s1.
What are the key properties of 2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone has a molecular weight of 223.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 107224151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).