3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol

C20H22N4O — CID 118173404

IUPAC3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol
SMILESOc1cccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1
InChIInChI=1S/C20H22N4O/c25-20-8-4-5-17(13-20)16-9-11-23(12-10-16)14-18-15-24(22-21-18)19-6-2-1-3-7-19/h1-8,13,15-16,25H,9-12,14H2
InChIKeyCOPMCELBSXFHKX-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.35
Rot. Bonds4

About 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol

3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol (PubChem CID 118173404) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol
PubChem CID118173404
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol
SMILESOc1cccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1
InChIInChI=1S/C20H22N4O/c25-20-8-4-5-17(13-20)16-9-11-23(12-10-16)14-18-15-24(22-21-18)19-6-2-1-3-7-19/h1-8,13,15-16,25H,9-12,14H2
InChIKeyCOPMCELBSXFHKX-UHFFFAOYSA-N
XLogP3.35
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol?
The IUPAC name of 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol (CID 118173404) is 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol is Oc1cccc(C2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1.
What is the InChIKey of 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol?
The InChIKey is COPMCELBSXFHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20-8-4-5-17(13-20)16-9-11-23(12-10-16)14-18-15-24(22-21-18)19-6-2-1-3-7-19/h1-8,13,15-16,25H,9-12,14H2.
What are the key properties of 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol?
3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol has a molecular weight of 334.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol is sourced from PubChem (CID 118173404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).