(2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol

C15H27NO2 — CID 740504

IUPAC(2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol
SMILESO[C@H](COC[C@H]1CC=CCC1)CN1CCCCC1
InChIInChI=1S/C15H27NO2/c17-15(11-16-9-5-2-6-10-16)13-18-12-14-7-3-1-4-8-14/h1,3,14-15,17H,2,4-13H2/t14-,15-/m0/s1
InChIKeyJTKFIYMYUXAIRO-GJZGRUSLSA-N
MW253.39 g/mol
LogP2.21
Rot. Bonds6

About (2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol

(2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 740504) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID740504
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol
SMILESO[C@H](COC[C@H]1CC=CCC1)CN1CCCCC1
InChIInChI=1S/C15H27NO2/c17-15(11-16-9-5-2-6-10-16)13-18-12-14-7-3-1-4-8-14/h1,3,14-15,17H,2,4-13H2/t14-,15-/m0/s1
InChIKeyJTKFIYMYUXAIRO-GJZGRUSLSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol (CID 740504) is (2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol is O[C@H](COC[C@H]1CC=CCC1)CN1CCCCC1.
What is the InChIKey of (2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is JTKFIYMYUXAIRO-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H27NO2/c17-15(11-16-9-5-2-6-10-16)13-18-12-14-7-3-1-4-8-14/h1,3,14-15,17H,2,4-13H2/t14-,15-/m0/s1.
What are the key properties of (2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol?
(2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1R)-cyclohex-3-en-1-yl]methoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 740504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).