[(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol

C15H28N2O2 — CID 97154002

IUPAC[(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCN(CCN2CCOCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-4-15(14-18)5-3-6-17(13-15)8-7-16-9-11-19-12-10-16/h2,18H,1,3-14H2/t15-/m0/s1
InChIKeyXZUHRXJPCUGPCF-HNNXBMFYSA-N
MW268.40 g/mol
LogP0.97
Rot. Bonds6

About [(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol

[(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 97154002) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID97154002
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCN(CCN2CCOCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-4-15(14-18)5-3-6-17(13-15)8-7-16-9-11-19-12-10-16/h2,18H,1,3-14H2/t15-/m0/s1
InChIKeyXZUHRXJPCUGPCF-HNNXBMFYSA-N
XLogP0.97
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol (CID 97154002) is [(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol is C=CC[C@]1(CO)CCCN(CCN2CCOCC2)C1.
What is the InChIKey of [(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is XZUHRXJPCUGPCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-4-15(14-18)5-3-6-17(13-15)8-7-16-9-11-19-12-10-16/h2,18H,1,3-14H2/t15-/m0/s1.
What are the key properties of [(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol?
[(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 268.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-morpholin-4-ylethyl)-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 97154002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).