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

C16H22N4O2 — CID 95610148

IUPAC(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
SMILESC[C@@](O)(CN1CCO[C@H](Cn2cncn2)C1)c1ccccc1
InChIInChI=1S/C16H22N4O2/c1-16(21,14-5-3-2-4-6-14)11-19-7-8-22-15(9-19)10-20-13-17-12-18-20/h2-6,12-13,15,21H,7-11H2,1H3/t15-,16+/m0/s1
InChIKeyDVDMNTXGLFFSEQ-JKSUJKDBSA-N
MW302.38 g/mol
LogP0.89
Rot. Bonds5

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

(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol (PubChem CID 95610148) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
PubChem CID95610148
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
SMILESC[C@@](O)(CN1CCO[C@H](Cn2cncn2)C1)c1ccccc1
InChIInChI=1S/C16H22N4O2/c1-16(21,14-5-3-2-4-6-14)11-19-7-8-22-15(9-19)10-20-13-17-12-18-20/h2-6,12-13,15,21H,7-11H2,1H3/t15-,16+/m0/s1
InChIKeyDVDMNTXGLFFSEQ-JKSUJKDBSA-N
XLogP0.89
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-1-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56780681
(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
CID 113251778
(2S)-4-[(E)-3-phenylprop-2-enyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95348630
N-methyl-N-[(1R)-1-phenylethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 100843546
(2S)-4-(3-methylbut-2-enyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978876
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517
1-[benzyl(methyl)amino]-3-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56802826
4-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 154748031
(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95346647
(2R)-4-(1,3-benzothiazol-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978871
2-[3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propyl]-1,3-benzoxazole
CID 95347992

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The IUPAC name of (2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol (CID 95610148) is (2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The canonical SMILES for (2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol is C[C@@](O)(CN1CCO[C@H](Cn2cncn2)C1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The InChIKey is DVDMNTXGLFFSEQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(21,14-5-3-2-4-6-14)11-19-7-8-22-15(9-19)10-20-13-17-12-18-20/h2-6,12-13,15,21H,7-11H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol has a molecular weight of 302.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 95610148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).