(2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol

C15H27N5O2 — CID 129461226

IUPAC(2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESO[C@@H](CN1CCOCC1)CN1CCCC[C@H]1Cn1cncn1
InChIInChI=1S/C15H27N5O2/c21-15(10-18-5-7-22-8-6-18)11-19-4-2-1-3-14(19)9-20-13-16-12-17-20/h12-15,21H,1-11H2/t14-,15-/m0/s1
InChIKeySAIMFCWYVJJTAB-GJZGRUSLSA-N
MW309.41 g/mol
LogP-0.17
Rot. Bonds6

About (2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol

(2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol (PubChem CID 129461226) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
PubChem CID129461226
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name(2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESO[C@@H](CN1CCOCC1)CN1CCCC[C@H]1Cn1cncn1
InChIInChI=1S/C15H27N5O2/c21-15(10-18-5-7-22-8-6-18)11-19-4-2-1-3-14(19)9-20-13-16-12-17-20/h12-15,21H,1-11H2/t14-,15-/m0/s1
InChIKeySAIMFCWYVJJTAB-GJZGRUSLSA-N
XLogP-0.17
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129461241
(2S)-1-pyrazol-1-yl-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95337140
(2S)-1-phenoxy-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129426047
1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 111452480
(2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95610445
(2R)-1-(thiophen-2-ylmethoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129426034
(2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95610429
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95323465
(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95610468
(2R)-1-methoxy-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129381040
(2R)-1-(thiophen-2-ylmethoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426024
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 129426249

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol (CID 129461226) is (2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol is O[C@@H](CN1CCOCC1)CN1CCCC[C@H]1Cn1cncn1.
What is the InChIKey of (2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is SAIMFCWYVJJTAB-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H27N5O2/c21-15(10-18-5-7-22-8-6-18)11-19-4-2-1-3-14(19)9-20-13-16-12-17-20/h12-15,21H,1-11H2/t14-,15-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
(2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 309.41 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 129461226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).