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

C18H26N4O3 — CID 100843480

IUPAC(2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(OC[C@H](O)CN2CCC[C@@H](Cn3cncn3)C2)cc1
InChIInChI=1S/C18H26N4O3/c1-24-17-4-6-18(7-5-17)25-12-16(23)11-21-8-2-3-15(9-21)10-22-14-19-13-20-22/h4-7,13-16,23H,2-3,8-12H2,1H3/t15-,16-/m1/s1
InChIKeyGCRXDCQWAJNRQE-HZPDHXFCSA-N
MW346.43 g/mol
LogP1.44
Rot. Bonds8

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

(2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol (PubChem CID 100843480) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
PubChem CID100843480
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(OC[C@H](O)CN2CCC[C@@H](Cn3cncn3)C2)cc1
InChIInChI=1S/C18H26N4O3/c1-24-17-4-6-18(7-5-17)25-12-16(23)11-21-8-2-3-15(9-21)10-22-14-19-13-20-22/h4-7,13-16,23H,2-3,8-12H2,1H3/t15-,16-/m1/s1
InChIKeyGCRXDCQWAJNRQE-HZPDHXFCSA-N
XLogP1.44
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(4-fluorophenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 100841295
(2S)-1-(4-fluorophenoxy)-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95333116
4-[(2R)-2-hydroxy-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propoxy]benzonitrile
CID 95333887
(2R)-1-(4-methylpiperidin-1-yl)-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95316402
(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95333284
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95329378
3-fluoro-2-methoxy-4-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 167940513
(2S)-1-phenoxy-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129426047
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111148127
1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 43590041
1-[3-[(4-aminophenoxy)methyl]piperidin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 142125033
(3S)-1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309308

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol (CID 100843480) is (2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol is COc1ccc(OC[C@H](O)CN2CCC[C@@H](Cn3cncn3)C2)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is GCRXDCQWAJNRQE-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-24-17-4-6-18(7-5-17)25-12-16(23)11-21-8-2-3-15(9-21)10-22-14-19-13-20-22/h4-7,13-16,23H,2-3,8-12H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
(2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 346.43 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenoxy)-3-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 100843480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).