1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol

C20H23ClN4O2 — CID 119039036

IUPAC1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CN1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C20H23ClN4O2/c21-16-6-8-18(9-7-16)27-14-17(26)13-24-10-3-4-15(12-24)20-23-22-19-5-1-2-11-25(19)20/h1-2,5-9,11,15,17,26H,3-4,10,12-14H2
InChIKeyFAPIZTAGYXLZFP-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.00
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol

1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol (PubChem CID 119039036) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol
PubChem CID119039036
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CN1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C20H23ClN4O2/c21-16-6-8-18(9-7-16)27-14-17(26)13-24-10-3-4-15(12-24)20-23-22-19-5-1-2-11-25(19)20/h1-2,5-9,11,15,17,26H,3-4,10,12-14H2
InChIKeyFAPIZTAGYXLZFP-UHFFFAOYSA-N
XLogP3.00
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 111436337
1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
CID 21396143
1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
CID 110887687
3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 124750094
1-(4-fluorophenoxy)-3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-2-ol
CID 154833664
1-(4-chlorophenyl)-4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 38172531
1-[3-[(4-aminophenoxy)methyl]piperidin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 142125033
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 111113624
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol
CID 74227411
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
2-hydroxy-2-phenyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 110881752

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol (CID 119039036) is 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol is OC(COc1ccc(Cl)cc1)CN1CCCC(c2nnc3ccccn23)C1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is FAPIZTAGYXLZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-16-6-8-18(9-7-16)27-14-17(26)13-24-10-3-4-15(12-24)20-23-22-19-5-1-2-11-25(19)20/h1-2,5-9,11,15,17,26H,3-4,10,12-14H2.
What are the key properties of 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol?
1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 386.88 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 119039036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).