(2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol

C15H27NO3 — CID 98675742

IUPAC(2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](COC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCOCC1
InChIInChI=1S/C15H27NO3/c17-15(9-16-3-5-18-6-4-16)11-19-10-14-8-12-1-2-13(14)7-12/h12-15,17H,1-11H2/t12-,13-,14-,15-/m0/s1
InChIKeyYQHLULJNYGIRMM-AJNGGQMLSA-N
MW269.38 g/mol
LogP1.13
Rot. Bonds6

About (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol

(2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 98675742) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID98675742
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](COC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCOCC1
InChIInChI=1S/C15H27NO3/c17-15(9-16-3-5-18-6-4-16)11-19-10-14-8-12-1-2-13(14)7-12/h12-15,17H,1-11H2/t12-,13-,14-,15-/m0/s1
InChIKeyYQHLULJNYGIRMM-AJNGGQMLSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

(2S)-1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-morpholin-4-ylpropan-2-ol
CID 124853914
(2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 98734841
(2R)-1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 98184779
(2S)-1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 98184723
(2R)-1-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 98184781
(2R)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 98734867
(2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 124725305
(2R)-1-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 98184757
1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45283743
(2R)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 98734804
(2R)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 98734816
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]propan-2-ol
CID 98184764

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol (CID 98675742) is (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol is O[C@H](COC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCOCC1.
What is the InChIKey of (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is YQHLULJNYGIRMM-AJNGGQMLSA-N. The full InChI is InChI=1S/C15H27NO3/c17-15(9-16-3-5-18-6-4-16)11-19-10-14-8-12-1-2-13(14)7-12/h12-15,17H,1-11H2/t12-,13-,14-,15-/m0/s1.
What are the key properties of (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol?
(2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 269.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 98675742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).