(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol

C17H25N5O — CID 95602344

IUPAC(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(Cc2cn(-c3ccccc3)nn2)C[C@@H]1C
InChIInChI=1S/C17H25N5O/c1-14-10-20(8-9-21(14)11-15(2)23)12-16-13-22(19-18-16)17-6-4-3-5-7-17/h3-7,13-15,23H,8-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyCSEANJCHXIBHTN-LSDHHAIUSA-N
MW315.42 g/mol
LogP1.15
Rot. Bonds5

About (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol

(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 95602344) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID95602344
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(Cc2cn(-c3ccccc3)nn2)C[C@@H]1C
InChIInChI=1S/C17H25N5O/c1-14-10-20(8-9-21(14)11-15(2)23)12-16-13-22(19-18-16)17-6-4-3-5-7-17/h3-7,13-15,23H,8-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyCSEANJCHXIBHTN-LSDHHAIUSA-N
XLogP1.15
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2R)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602343
(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95610792
(2R)-1-[(2R)-2-methyl-4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602266
3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
CID 119924639
(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98763698
(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602161
1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56778700
(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol
CID 95766441
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
(1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 124840043
(2S)-1-[(2R)-4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778972
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol (CID 95602344) is (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(Cc2cn(-c3ccccc3)nn2)C[C@@H]1C.
What is the InChIKey of (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is CSEANJCHXIBHTN-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H25N5O/c1-14-10-20(8-9-21(14)11-15(2)23)12-16-13-22(19-18-16)17-6-4-3-5-7-17/h3-7,13-15,23H,8-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 315.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95602344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).