3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol

C17H23N3O2 — CID 70765183

IUPAC3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol
SMILESOCC1(O)CCCN(Cc2ccccc2Cn2cccn2)C1
InChIInChI=1S/C17H23N3O2/c21-14-17(22)7-3-9-19(13-17)11-15-5-1-2-6-16(15)12-20-10-4-8-18-20/h1-2,4-6,8,10,21-22H,3,7,9,11-14H2
InChIKeySELYQPSVSQWNNN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.25
Rot. Bonds5

About 3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol

3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol (PubChem CID 70765183) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol
PubChem CID70765183
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol
SMILESOCC1(O)CCCN(Cc2ccccc2Cn2cccn2)C1
InChIInChI=1S/C17H23N3O2/c21-14-17(22)7-3-9-19(13-17)11-15-5-1-2-6-16(15)12-20-10-4-8-18-20/h1-2,4-6,8,10,21-22H,3,7,9,11-14H2
InChIKeySELYQPSVSQWNNN-UHFFFAOYSA-N
XLogP1.25
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol (CID 70765183) is 3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol is OCC1(O)CCCN(Cc2ccccc2Cn2cccn2)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol?
The InChIKey is SELYQPSVSQWNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-14-17(22)7-3-9-19(13-17)11-15-5-1-2-6-16(15)12-20-10-4-8-18-20/h1-2,4-6,8,10,21-22H,3,7,9,11-14H2.
What are the key properties of 3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol?
3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol has a molecular weight of 301.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 70765183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).