2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol

C13H23NO — CID 95626167

IUPAC2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol
SMILESOCC[C@H]1CCCN([C@@H]2C=CCCC2)C1
InChIInChI=1S/C13H23NO/c15-10-8-12-5-4-9-14(11-12)13-6-2-1-3-7-13/h2,6,12-13,15H,1,3-5,7-11H2/t12-,13-/m1/s1
InChIKeySSPBMNXIYBHLLL-CHWSQXEVSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds3

About 2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol

2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol (PubChem CID 95626167) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol
PubChem CID95626167
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol
SMILESOCC[C@H]1CCCN([C@@H]2C=CCCC2)C1
InChIInChI=1S/C13H23NO/c15-10-8-12-5-4-9-14(11-12)13-6-2-1-3-7-13/h2,6,12-13,15H,1,3-5,7-11H2/t12-,13-/m1/s1
InChIKeySSPBMNXIYBHLLL-CHWSQXEVSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
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-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol (CID 95626167) is 2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol is OCC[C@H]1CCCN([C@@H]2C=CCCC2)C1.
What is the InChIKey of 2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol?
The InChIKey is SSPBMNXIYBHLLL-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H23NO/c15-10-8-12-5-4-9-14(11-12)13-6-2-1-3-7-13/h2,6,12-13,15H,1,3-5,7-11H2/t12-,13-/m1/s1.
What are the key properties of 2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol?
2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol has a molecular weight of 209.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(1S)-cyclohex-2-en-1-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 95626167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).