2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol

C20H22FN5O — CID 118173492

IUPAC2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol
SMILESOc1cc(C2CCN(Cc3cn(Cc4ccccn4)nn3)CC2)ccc1F
InChIInChI=1S/C20H22FN5O/c21-19-5-4-16(11-20(19)27)15-6-9-25(10-7-15)12-18-14-26(24-23-18)13-17-3-1-2-8-22-17/h1-5,8,11,14-15,27H,6-7,9-10,12-13H2
InChIKeyFVGZDVQXWNEXEN-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.95
Rot. Bonds5

About 2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol

2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol (PubChem CID 118173492) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol
PubChem CID118173492
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol
SMILESOc1cc(C2CCN(Cc3cn(Cc4ccccn4)nn3)CC2)ccc1F
InChIInChI=1S/C20H22FN5O/c21-19-5-4-16(11-20(19)27)15-6-9-25(10-7-15)12-18-14-26(24-23-18)13-17-3-1-2-8-22-17/h1-5,8,11,14-15,27H,6-7,9-10,12-13H2
InChIKeyFVGZDVQXWNEXEN-UHFFFAOYSA-N
XLogP2.95
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol?
The IUPAC name of 2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol (CID 118173492) is 2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol.
What is the SMILES notation for 2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol?
The canonical SMILES for 2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol is Oc1cc(C2CCN(Cc3cn(Cc4ccccn4)nn3)CC2)ccc1F.
What is the InChIKey of 2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol?
The InChIKey is FVGZDVQXWNEXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-19-5-4-16(11-20(19)27)15-6-9-25(10-7-15)12-18-14-26(24-23-18)13-17-3-1-2-8-22-17/h1-5,8,11,14-15,27H,6-7,9-10,12-13H2.
What are the key properties of 2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol?
2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol has a molecular weight of 367.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]piperidin-4-yl]phenol is sourced from PubChem (CID 118173492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).