[3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol

C16H22N4O2 — CID 154783388

IUPAC[3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
SMILESCOC1(CO)CCCN(Cc2ccnn2-c2ccccn2)C1
InChIInChI=1S/C16H22N4O2/c1-22-16(13-21)7-4-10-19(12-16)11-14-6-9-18-20(14)15-5-2-3-8-17-15/h2-3,5-6,8-9,21H,4,7,10-13H2,1H3
InChIKeyYWFPYGHBIGCAAQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.24
Rot. Bonds5

About [3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol

[3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol (PubChem CID 154783388) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
PubChem CID154783388
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
SMILESCOC1(CO)CCCN(Cc2ccnn2-c2ccccn2)C1
InChIInChI=1S/C16H22N4O2/c1-22-16(13-21)7-4-10-19(12-16)11-14-6-9-18-20(14)15-5-2-3-8-17-15/h2-3,5-6,8-9,21H,4,7,10-13H2,1H3
InChIKeyYWFPYGHBIGCAAQ-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol (CID 154783388) is [3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol is COC1(CO)CCCN(Cc2ccnn2-c2ccccn2)C1.
What is the InChIKey of [3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is YWFPYGHBIGCAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-22-16(13-21)7-4-10-19(12-16)11-14-6-9-18-20(14)15-5-2-3-8-17-15/h2-3,5-6,8-9,21H,4,7,10-13H2,1H3.
What are the key properties of [3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol?
[3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 302.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 154783388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).